Vitas-M small molecule compound
(7Z)-5-methyl-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
Catalog ID
STK993712
SMILES CC1C/C(=C/c2ccc(cc2)[N+](=O)[O-])/C2=NN(C(C2C1)c1ccc(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 C27H24N4O4 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O4/c1-18-15-21(17-19-7-11-23(12-8-19)30(32)33)26-25(16-18)27(20-9-13-24(14-10-20)31(34)35)29(28-26)22-5-3-2-4-6-22/h2-14,17-18,25,27H,15-16H2,1H3/b21-17-InChIKey
GGPSCMHZXCLZBZ-FXBPSFAMSA-NSynonyms
(7Z)5methyl3(4nitrophenyl)7((4nitrophenyl)methylidene)2phenyl3a456tetrahydro3Hindazole
(7Z)5methyl7(4nitrobenzylidene)3(4nitrophenyl)2phenyl33a4567hexahydro2Hindazole
CC1CC(=Cc2ccc(cc2)(N+)(=O)(O))C2=NN(C(C2C1)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC27H24N4O4c1181521(171971123(12819)30(32)33)2625(1618)27(2091324(141020)31(34)35)29(2826)225324622h21417182527H1516H21H3b2117
MFCD18184981
ZINC000051330365
ZINC000245255232
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