Vitas-M small molecule compound
(4Z)-4-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK701822
SMILES COc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C/1\C(=O)N(N=C1c1ccccc1)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 C32H23N5O4 MW 541.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23N5O4/c1-41-29-18-17-23(20-28(29)37(39)40)30-24(21-35(33-30)25-13-7-3-8-14-25)19-27-31(22-11-5-2-6-12-22)34-36(32(27)38)26-15-9-4-10-16-26/h2-21H,1H3/b27-19-InChIKey
CSMUNXZOMAJSNU-DIBXZPPDSA-NSynonyms
(4Z)4((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)25diphenyl24dihydro3Hpyrazol3one
(4Z)4((3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)25DIPHENYLPYRAZOL3ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C1C(=O)N(N=C1c1ccccc1)c1ccccc1)c1ccccc1
InChI=1SC32H23N5O4c14129181723(2028(29)37(39)40)3024(2135(3330)25137381425)192731(22115261222)3436(32(27)38)261594101626h221H1H3b2719
MFCD03461632
ZINC000100834208
ZINC100834208
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