Vitas-M small molecule compound

(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carboxamide

Catalog ID
STK993602
SMILES NC(=O)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 C21H19N5O5 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5/c22-21(27)24-20(14-6-10-17(11-7-14)26(30)31)18-3-1-2-15(19(18)23-24)12-13-4-8-16(9-5-13)25(28)29/h4-12,18,20H,1-3H2,(H2,22,27)/b15-12+
InChIKey
WCYOCJHQNJEGLJ-NTCAYCPXSA-N
Synonyms

(7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBOXAMIDE
(7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazole2carboxamide
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C(=O)N)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H19N5O5c2221(27)2420(1461017(11714)26(30)31)1831215(19(18)2324)12134816(9513)25(28)29h4121820H13H2(H22227)b1512+
MFCD00725032
NC(=O)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000038203002
ZINC000038203005

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Available files

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