Vitas-M small molecule compound
(2E)-2-cyano-3-[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(1-phenylethyl)prop-2-enamide
Catalog ID
STK809571
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C(/C(=O)NC(c1ccccc1)C)\C#N)c1ccccc1
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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 C29H25N5O4 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O4/c1-3-38-27-15-14-22(17-26(27)34(36)37)28-24(19-33(32-28)25-12-8-5-9-13-25)16-23(18-30)29(35)31-20(2)21-10-6-4-7-11-21/h4-17,19-20H,3H2,1-2H3,(H,31,35)/b23-16+InChIKey
YBINXCAXBCRBGW-XQNSMLJCSA-NSynonyms
(2E)2cyano3(3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)N(1phenylethyl)prop2enamide
(E)2CYANO3(3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)N(1PHENYLETHYL)PROP2ENAMIDE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C4)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C(C(=O)NC(c1ccccc1)C)C#N)c1ccccc1
InChI=1SC29H25N5O4c133827151422(1726(27)34(36)37)2824(1933(3228)25128591325)1623(1830)29(35)3120(2)21106471121h4171920H3H212H3(H3135)b2316+
MFCD03461420
ZINC000001452509
ZINC000001452511
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