Vitas-M small molecule compound

butyl ({3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate

Catalog ID
STK885862
SMILES CCCCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccccc1

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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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-4-5-15-34-23(31)17-35-27-20(16-28)25(19-11-7-6-8-12-19)24(18(2)29-27)26(32)30-21-13-9-10-14-22(21)33-3/h6-14,25,29H,4-5,15,17H2,1-3H3,(H,30,32)
InChIKey
YEEYLKVMURZPLU-UHFFFAOYSA-N
Synonyms

butyl((3cyano5((2methoxyphenyl)carbamoyl)6methyl4phenyl14dihydropyridin2yl)sulfanyl)acetate
butyl2((3cyano5((2methoxyphenyl)carbamoyl)6methyl4phenyl14dihydropyridin2yl)sulfanyl)acetate
CCCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3)C#N
InChI=1SC27H29N3O4Sc145153423(31)17352720(1628)25(19117681219)24(18(2)2927)26(32)3021139101422(21)333h6142529H451517H213H3(H3032)
MFCD10086411
ZINC000020347631
ZINC000020347633

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Available files

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