Vitas-M small molecule compound
methyl 2-({[5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK826828
SMILES COc1ccc(cc1)C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1C(=O)OC)c1ccco1
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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 C29H25N3O6S MW 543.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O6S/c1-17-25(27(34)32-22-8-5-4-7-20(22)29(35)37-3)26(24-9-6-14-38-24)21(15-30)28(31-17)39-16-23(33)18-10-12-19(36-2)13-11-18/h4-14,26,31H,16H2,1-3H3,(H,32,34)InChIKey
VTHKSLILUIVSGJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC29H25N3O6Sc11725(27(34)3222854720(22)29(35)373)26(2496143824)21(1530)28(3117)391623(33)18101219(362)131118h4142631H16H213H3(H3234)
methyl2(((5cyano4(furan2yl)6((2(4methoxyphenyl)2oxoethyl)sulfanyl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
methyl2((5cyano4(furan2yl)6(2(4methoxyphenyl)2oxoethyl)sulfanyl2methyl14dihydropyridine3carbonyl)amino)benzoate
MFCD10086824
ZINC000101156218
ZINC000101156219
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