Vitas-M small molecule compound
methyl 3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-[4-(methylsulfanyl)phenyl]propanoate
Catalog ID
STL547917
SMILES COC(=O)CC(c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)C)c1ccc(cc1)SC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H27NO7S MW 509.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO7S/c1-13-24(31)22-16(11-28-13)12-35-27(22)20-9-18(14(2)29)25(32)23(26(20)33)19(10-21(30)34-3)15-5-7-17(36-4)8-6-15/h5-9,11,19,27,31-33H,10,12H2,1-4H3InChIKey
PZAKEZOODSVUDR-UHFFFAOYSA-NSynonyms
121542166
InChI=1SC27H27NO7Sc11324(31)2216(112813)123527(22)20918(14(2)29)25(32)23(26(20)33)19(1021(30)343)155717(364)8615h591119273133H1012H214H3
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(4(methylsulfanyl)phenyl)propanoate
METHYL3(3ACETYL26DIHYDROXY5(7HYDROXY6METHYL13DIHYDROFURO(34C)PYRIDIN1YL)PHENYL)3(4(METHYLTHIO)PHENYL)PROPANOATE
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(4methylsulfanylphenyl)propanoate
MFCD30344580
ZINC000263586096
ZINC000263586099
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