Vitas-M small molecule compound

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

Catalog ID
STK725808
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)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 C29H25BrN4O3S MW 589.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN4O3S/c1-18-26(28(36)34-23-10-6-7-11-24(23)37-2)27(19-8-4-3-5-9-19)22(16-31)29(32-18)38-17-25(35)33-21-14-12-20(30)13-15-21/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey
YCGAXRHNBQFFJD-UHFFFAOYSA-N
Synonyms
332162-36-4
332162364
6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyanoN(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
6((2((4BROMOPHENYL)AMINO)2OXOETHYL)THIO)5CYANON(2METHOXYPHENYL)2METHYL4PHENYL14DIHYDROPYRIDINE3CARBOXAMIDE
6(2(4BROMOANILINO)2OXOETHYL)SULFANYL5CYANON(2METHOXYPHENYL)2METHYL4PHENYL14DIHYDROPYRIDINE3CARBOXAMIDE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC
InChI=1SC29H25BrN4O3Sc11826(28(36)342310671124(23)372)27(198435919)22(1631)29(3218)381725(35)3321141220(30)131521h3152732H17H212H3(H3335)(H3436)
MFCD01464438
N(4BROMOPHENYL)2(3CYANO5(N(2METHOXYPHENYL)CARBAMOYL)6METHYL4PHENYL(214DIHYDROPYRIDYLTHIO))ACETAMIDE
ZINC000100568974
ZINC000100568976

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.