Vitas-M small molecule compound

(7Z)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbimidothioic acid

Catalog ID
STK993718
SMILES SC(=N)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C/c1ccc(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 C21H19N5O4S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4S/c22-21(31)24-20(14-6-10-17(11-7-14)26(29)30)18-3-1-2-15(19(18)23-24)12-13-4-8-16(9-5-13)25(27)28/h4-12,18,20H,1-3H2,(H2,22,31)/b15-12-
InChIKey
MWRKTQNPVMHMCZ-QINSGFPZSA-N
Synonyms

(7Z)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBOTHIOAMIDE
(7Z)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazole2carbimidothioicacid
InChI=1SC21H19N5O4Sc2221(31)2420(1461017(11714)26(29)30)1831215(19(18)2324)12134816(9513)25(27)28h4121820H13H2(H22231)b1512
MFCD18184987
SC(=N)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000033246237
ZINC000033246240

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Available files

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