Vitas-M small molecule compound
(2E)-2-cyano-3-[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK799148
SMILES CCOc1ccc(cc1)NC(=O)/C(=C/c1cn(nc1c1ccc(cc1C)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/c1-4-36-26-13-11-24(12-14-26)32-30(35)22(19-31)18-23-20-34(25-9-7-6-8-10-25)33-29(23)28-16-15-27(37-5-2)17-21(28)3/h6-18,20H,4-5H2,1-3H3,(H,32,35)/b22-18+InChIKey
FDVVWDQVUYOEEH-RELWKKBWSA-NSynonyms
(2E)2cyano3(3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)N(4ethoxyphenyl)prop2enamide
(E)2CYANO3(3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)N(4ETHOXYPHENYL)PROP2ENAMIDE
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC)C)C4=CC=CC=C4)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cn(nc1c1ccc(cc1C)OCC)c1ccccc1)C#N
InChI=1SC30H28N4O3c143626131124(121426)3230(35)22(1931)18232034(2597681025)3329(23)28161527(3752)1721(28)3h61820H45H213H3(H3235)b2218+
MFCD03462307
ZINC000001103616
ZINC01103616
ZINC1103616
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