Vitas-M small molecule compound
(2Z)-2-cyano-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK822930
SMILES CCOc1ccc(cc1)NC(=O)/C(=C\c1cn(nc1c1ccc(c(c1)C)OCC)c1ccccc1)/C#N
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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 C30H28N4O3 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O3/c1-4-36-27-14-12-25(13-15-27)32-30(35)23(19-31)18-24-20-34(26-9-7-6-8-10-26)33-29(24)22-11-16-28(37-5-2)21(3)17-22/h6-18,20H,4-5H2,1-3H3,(H,32,35)/b23-18-InChIKey
HMDSRCBBJFGBHP-NKFKGCMQSA-NSynonyms
(2Z)2cyano3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)N(4ethoxyphenyl)prop2enamide
(Z)2cyano3(3(4ethoxy3methylphenyl)1phenylpyrazol4yl)N(4ethoxyphenyl)prop2enamide
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)C)C4=CC=CC=C4)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cn(nc1c1ccc(c(c1)C)OCC)c1ccccc1)C#N
InChI=1SC30H28N4O3c143627141225(131527)3230(35)23(1931)18242034(2697681026)3329(24)22111628(3752)21(3)1722h61820H45H213H3(H3235)b2318
MFCD03463489
ZINC000032636390
ZINC32636390
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