Vitas-M small molecule compound
butyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-phenyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Catalog ID
STK764682
SMILES CCCCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1C)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 C27H29N3O3S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S/c1-4-5-15-33-23(31)17-34-27-21(16-28)25(20-12-7-6-8-13-20)24(19(3)29-27)26(32)30-22-14-10-9-11-18(22)2/h6-14,25,29H,4-5,15,17H2,1-3H3,(H,30,32)InChIKey
HAXQCFKDNHICRZ-UHFFFAOYSA-NSynonyms
butyl((3cyano6methyl5((2methylphenyl)carbamoyl)4phenyl14dihydropyridin2yl)sulfanyl)acetate
butyl2((3cyano6methyl4phenyl5(otolylcarbamoyl)14dihydropyridin2yl)thio)acetate
BUTYL2((3CYANO6METHYL5((2METHYLPHENYL)CARBAMOYL)4PHENYL14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
CCCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2C)C3=CC=CC=C3)C#N
InChI=1SC27H29N3O3Sc145153323(31)17342721(1628)25(20127681320)24(19(3)2927)26(32)3022141091118(22)2h6142529H451517H213H3(H3032)
MFCD02240738
ZINC000019946600
ZINC000019946604
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