Vitas-M small molecule compound

(7Z)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-2-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole

Catalog ID
STK993713
SMILES Cc1ccc(cc1)C1C2CCC/C(=C/c3ccc(cc3)C)/C2=NN1c1ccc(cc1)[N+](=O)[O-]

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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 C28H27N3O2 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O2/c1-19-6-10-21(11-7-19)18-23-4-3-5-26-27(23)29-30(24-14-16-25(17-15-24)31(32)33)28(26)22-12-8-20(2)9-13-22/h6-18,26,28H,3-5H2,1-2H3/b23-18-
InChIKey
FBXZCKUUXLJREK-NKFKGCMQSA-N
Synonyms

(7Z)3(4methylphenyl)7((4methylphenyl)methylidene)2(4nitrophenyl)3a456tetrahydro3Hindazole
(7Z)7(4methylbenzylidene)3(4methylphenyl)2(4nitrophenyl)33a4567hexahydro2Hindazole
CC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)C)C5=CC=C(C=C5)(N+)(=O)(O)
Cc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)C)C2=NN1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H27N3O2c11961021(11719)18234352627(23)2930(24141625(171524)31(32)33)28(26)2212820(2)91322h6182628H35H212H3b2318
MFCD18184982
ZINC000051330370
ZINC000051330376

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Available files

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