Vitas-M small molecule compound
(2E)-3-[1-benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)prop-2-enamide
Catalog ID
STK472854
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)OC)Cc1ccccc1)/C(=O)Nc1sc(c(c1C#N)CC)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 C29H25N5O2S MW 507.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O2S/c1-4-25-19(2)37-29(26(25)16-31)32-28(35)22(15-30)14-23-18-34(17-20-8-6-5-7-9-20)33-27(23)21-10-12-24(36-3)13-11-21/h5-14,18H,4,17H2,1-3H3,(H,32,35)/b22-14+InChIKey
DMQNUQPBUBHKQV-HYARGMPZSA-NSynonyms
(2E)2CYANON(3CYANO4ETHYL5METHYL(2THIENYL))3(3(4METHOXYPHENYL)1BENZYLPYRAZOL4YL)PROP2ENAMIDE
(2E)3(1benzyl3(4methoxyphenyl)1Hpyrazol4yl)2cyanoN(3cyano4ethyl5methylthiophen2yl)prop2enamide
(E)3(1benzyl3(4methoxyphenyl)pyrazol4yl)2cyanoN(3cyano4ethyl5methylthiophen2yl)prop2enamide
CCC1=C(SC(=C1C#N)NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4)C#N)C
InChI=1SC29H25N5O2Sc142519(2)3729(26(25)1631)3228(35)22(1530)14231834(17208657920)3327(23)21101224(363)131121h51418H417H213H3(H3235)b2214+
MFCD07093745
N#CC(=Cc1cn(nc1c1ccc(cc1)OC)Cc1ccccc1)C(=O)Nc1sc(c(c1C#N)CC)C
ZINC000020191306
ZINC20191306
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