Vitas-M small molecule compound
(4Z)-4-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-(4-methoxyphenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK822957
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/1\C(=O)N(N=C1c1ccc(cc1)OC)c1ccccc1)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 C34H28N4O3 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N4O3/c1-3-41-30-20-16-24(17-21-30)32-26(23-37(35-32)27-10-6-4-7-11-27)22-31-33(25-14-18-29(40-2)19-15-25)36-38(34(31)39)28-12-8-5-9-13-28/h4-23H,3H2,1-2H3/b31-22-InChIKey
YSXRLAPQQWDIKJ-VAMRJTSQSA-NSynonyms
(4Z)4((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)5(4methoxyphenyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)5(4methoxyphenyl)2phenylpyrazol3one
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=C1C(=O)N(N=C1c1ccc(cc1)OC)c1ccccc1)c1ccccc1
InChI=1SC34H28N4O3c134130201624(172130)3226(2337(3532)27106471127)223133(25141829(402)191525)3638(34(31)39)28128591328h423H3H212H3b3122
MFCD03463516
ZINC000097947115
ZINC97947115
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