Vitas-M small molecule compound
(2E)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(1-phenylethyl)prop-2-enamide
Catalog ID
STK809570
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/C(=O)NC(c1ccccc1)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 C27H21ClN4O MW 452.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O/c1-19(20-8-4-2-5-9-20)30-27(33)22(17-29)16-23-18-32(25-10-6-3-7-11-25)31-26(23)21-12-14-24(28)15-13-21/h2-16,18-19H,1H3,(H,30,33)/b22-16+InChIKey
YAEOXZNALZZRAW-CJLVFECKSA-NSynonyms
(2E)3(3(4chlorophenyl)1phenyl1Hpyrazol4yl)2cyanoN(1phenylethyl)prop2enamide
(E)3(3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)2CYANON(1PHENYLETHYL)PROP2ENAMIDE
CC(C1=CC=CC=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N
InChI=1SC27H21ClN4Oc119(208425920)3027(33)22(1729)16231832(25106371125)3126(23)21121424(28)151321h2161819H1H3(H3033)b2216+
MFCD03461419
N#CC(=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1)C(=O)NC(c1ccccc1)C
ZINC000002682636
ZINC000002682638
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