Vitas-M small molecule compound

5-cyano-2-methyl-6-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

Catalog ID
STK536309
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C(C)C)NC(=C(C1c1cccs1)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 C29H28N4O2S2 MW 528.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O2S2/c1-18(2)20-11-13-22(14-12-20)32-25(34)17-37-29-23(16-30)27(24-10-7-15-36-24)26(19(3)31-29)28(35)33-21-8-5-4-6-9-21/h4-15,18,27,31H,17H2,1-3H3,(H,32,34)(H,33,35)
InChIKey
NPDQRTQMQSPOBQ-UHFFFAOYSA-N
Synonyms

2(3CYANO6METHYL5(NPHENYLCARBAMOYL)4(2THIENYL)(214DIHYDROPYRIDYLTHIO))N(4(METHYLETHYL)PHENYL)ACETAMIDE
5cyano2methyl6((2oxo2((4(propan2yl)phenyl)amino)ethyl)sulfanyl)Nphenyl4(thiophen2yl)14dihydropyridine3carboxamide
5CYANO2METHYL6(2OXO2(4PROPAN2YLANILINO)ETHYL)SULFANYLNPHENYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXAMIDE
5cyano6((2((4isopropylphenyl)amino)2oxoethyl)thio)2methylNphenyl4(thiophen2yl)14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)C(C)C)C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4
InChI=1SC29H28N4O2S2c118(2)20111322(141220)3225(34)17372923(1630)27(24107153624)26(19(3)3129)28(35)33218546921h415182731H17H213H3(H3234)(H3335)
MFCD02232535
ZINC000100600814
ZINC000100600816

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Available files

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