Vitamins

Cas#: 67-03-8        Compound CID:  6202

Formula:  C₁₂H₁₈Cl₂N₄OS        Molecular Weight: 337.27

IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride

SMILES: CC1=NC(N)=C(C[N+]2=CSC(CCO)=C2C)C=N1.Cl.[Cl-]

InChIKey: DPJRMOMPQZCRJU-UHFFFAOYSA-M

InChI: InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1

Cas#: 67-03-8        Compound CID:  6202

Formula:  C₁₂H₁₈Cl₂N₄OS        Molecular Weight: 337.27

IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride

SMILES: CC1=NC(N)=C(C[N+]2=CSC(CCO)=C2C)C=N1.Cl.[Cl-]

InChIKey: DPJRMOMPQZCRJU-UHFFFAOYSA-M

InChI: InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1

Cas#: 137-66-6        Compound CID:  54680660

Formula:  C₂₂H₃₈O₇        Molecular Weight: 414.53

IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O

InChIKey: QAQJMLQRFWZOBN-LAUBAEHRSA-N

InChI: InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1

Cas#: 59-67-6        Compound CID:  938

Formula:  C₆H₅NO₂        Molecular Weight: 123.11

IUPAC Name: pyridine-3-carboxylic acid

SMILES: C1=CC(=CN=C1)C(=O)O

InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N

InChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

Cas#: 59-67-6        Compound CID:  938

Formula:  C₆H₅NO₂        Molecular Weight: 123.11

IUPAC Name: pyridine-3-carboxylic acid

SMILES: C1=CC(=CN=C1)C(=O)O

InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N

InChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

Cas#: 67-48-1        Compound CID:  6209

Formula:  C₅H₁₄ClNO        Molecular Weight: 139.62

IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;chloride

SMILES: C[N+](C)(C)CCO.[Cl-]

InChIKey: SGMZJAMFUVOLNK-UHFFFAOYSA-M

InChI: InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

Cas#: 541-15-1        Compound CID:  10917

Formula:  C₇H₁₅NO₃        Molecular Weight: 161.2

IUPAC Name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate

SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O

InChIKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N

InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1

Cas#: 520-26-3       

Formula:  C₂₈H₃₄O₁₅        Molecular Weight: 610.56

IUPAC Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

SMILES: COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

InChIKey: QUQPHWDTPGMPEX-QJBIFVCTSA-N

InChI: InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

Cas#: 58-85-5        Compound CID:  171548

Formula:  C₁₀H₁₆N₂O₃S        Molecular Weight: 244.31

IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid

SMILES: [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2

InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N

InChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1

Cas#: 67-48-1        Compound CID:  6209

Formula:  C₅H₁₄ClNO        Molecular Weight: 139.62

IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;chloride

SMILES: C[N+](C)(C)CCO.[Cl-]

InChIKey: SGMZJAMFUVOLNK-UHFFFAOYSA-M

InChI: InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

Cas#: 23015-53-4       

Formula:  C₁₀H₁₆N₂O₄S        Molecular Weight: 260.310