Vitas-M small molecule compound
(2E)-3-[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK810217
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)Nc1ccc(cc1)OCC)\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 C31H30N4O3 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O3/c1-3-5-19-38-29-15-11-23(12-16-29)30-25(22-35(34-30)27-9-7-6-8-10-27)20-24(21-32)31(36)33-26-13-17-28(18-14-26)37-4-2/h6-18,20,22H,3-5,19H2,1-2H3,(H,33,36)/b24-20+InChIKey
JHMZARPUYSQEID-HIXSDJFHSA-NSynonyms
(2E)3(3(4butoxyphenyl)1phenyl1Hpyrazol4yl)2cyanoN(4ethoxyphenyl)prop2enamide
(E)3(3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)2CYANON(4ETHOXYPHENYL)PROP2ENAMIDE
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=C(C=C3)OCC)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)Nc1ccc(cc1)OCC)C#N)c1ccccc1
InChI=1SC31H30N4O3c135193829151123(121629)3025(2235(3430)2797681027)2024(2132)31(36)3326131728(181426)3742h6182022H3519H212H3(H3336)b2420+
MFCD03462495
ZINC000016700999
ZINC16700999
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