Vitas-M small molecule compound
methyl {[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK004505
SMILES COC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-15-20(22(28)26-17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)18(13-24)23(25-15)30-14-19(27)29-2/h3-12,21,25H,14H2,1-2H3,(H,26,28)InChIKey
YXXMAXHEJPGERG-UHFFFAOYSA-NSynonyms
185409-72-7185409727
CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3
COC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccccc1
InChI=1SC23H21N3O3Sc11520(22(28)2617117481217)21(1695361016)18(1324)23(2515)301419(27)292h3122125H14H212H3(H2628)
METHYL((3CYANO6METHYL4PHENYL5(PHENYLCARBAMOYL)14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
METHYL2((3CYANO6METHYL4PHENYL5(PHENYLCARBAMOYL)14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
methyl2((3cyano6methyl4phenyl5(phenylcarbamoyl)14dihydropyridin2yl)thio)acetate
MFCD00335553
STK004505
ZINC000000786546
ZINC000000786549
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