Vitas-M small molecule compound
(2E)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
Catalog ID
STK823180
SMILES CCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)\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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-5-6-14-34-22-13-12-19(16-23(22)33-4)15-20(17-27)25(31)28-24-18(2)29(3)30(26(24)32)21-10-8-7-9-11-21/h7-13,15-16H,5-6,14H2,1-4H3,(H,28,31)/b20-15+InChIKey
AYOSUTOKZWUVFO-HMMYKYKNSA-NSynonyms
(2E)3(4butoxy3methoxyphenyl)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)prop2enamide
(E)3(4butoxy3methoxyphenyl)2cyanoN(15dimethyl3oxo2phenylpyrazol4yl)prop2enamide
CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OC
CCCCOc1ccc(cc1OC)C=C(C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)C#N
InChI=1SC26H28N4O4c156143422131219(1623(22)334)1520(1727)25(31)282418(2)29(3)30(26(24)32)21108791121h7131516H5614H214H3(H2831)b2015+
MFCD03463719
ZINC000019927823
ZINC19927823
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