Vitas-M small molecule compound
(4E)-5-methyl-4-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK160409
SMILES CC1=NN(C(=O)/C/1=C/c1cn(c2c1cccc2)Cc1ccc(cc1)[N+](=O)[O-])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 C26H20N4O3 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O3/c1-18-24(26(31)29(27-18)21-7-3-2-4-8-21)15-20-17-28(25-10-6-5-9-23(20)25)16-19-11-13-22(14-12-19)30(32)33/h2-15,17H,16H2,1H3/b24-15+InChIKey
JSBLPQHIHCCHSR-BUVRLJJBSA-NSynonyms
757947-24-3(4E)5METHYL4((1((4NITROPHENYL)METHYL)INDOL3YL)METHYLIDENE)2PHENYLPYRAZOL3ONE
(4E)5METHYL4((1(4NITROBENZYL)1HINDOL3YL)METHYLIDENE)2PHENYL24DIHYDRO3HPYRAZOL3ONE
757947243
CC1=NN(C(=O)C1=Cc1cn(c2c1cccc2)Cc1ccc(cc1)(N+)(=O)(O))c1ccccc1
CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC26H20N4O3c11824(26(31)29(2718)217324821)15201728(251065923(20)25)1619111322(141219)30(32)33h21517H16H21H3b2415+
MFCD04533088
ZINC000100233084
ZINC100233084
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