Vitas-M small molecule compound

5-cyano-6-({2-[(3-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Catalog ID
STK885931
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)F)NC(=C(C1c1ccc(c(c1)OC)O)C(=O)Nc1ccccc1)C

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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 C29H25FN4O4S MW 544.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN4O4S/c1-17-26(28(37)34-20-8-4-3-5-9-20)27(18-11-12-23(35)24(13-18)38-2)22(15-31)29(32-17)39-16-25(36)33-21-10-6-7-19(30)14-21/h3-14,27,32,35H,16H2,1-2H3,(H,33,36)(H,34,37)
InChIKey
YMGJKTNAGCICCL-UHFFFAOYSA-N
Synonyms

5cyano6((2((3fluorophenyl)amino)2oxoethyl)sulfanyl)4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
5cyano6(2(3fluoroanilino)2oxoethyl)sulfanyl4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)F)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4
InChI=1SC29H25FN4O4Sc11726(28(37)34208435920)27(18111223(35)24(1318)382)22(1531)29(3217)391625(36)3321106719(30)1421h314273235H16H212H3(H3336)(H3437)
MFCD10086481
ZINC000098048749
ZINC000098048750

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Available files

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