Vitas-M small molecule compound
(3-chlorophenyl)[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK068834
SMILES Clc1cccc(c1)C(=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 C27H21ClN4O5 MW 516.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O5/c28-21-5-1-4-20(16-21)27(33)30-26(18-9-13-23(14-10-18)32(36)37)24-6-2-3-19(25(24)29-30)15-17-7-11-22(12-8-17)31(34)35/h1,4-5,7-16,24,26H,2-3,6H2/b19-15+InChIKey
UFBMPHOSIYFAJT-XDJHFCHBSA-NSynonyms
(3CHLOROPHENYL)((7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(3chlorophenyl)((7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)(N+)(=O)(O)
Clc1cccc(c1)C(=O)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H21ClN4O5c282151420(1621)27(33)3026(1891323(141018)32(36)37)2462319(25(24)2930)151771122(12817)31(34)35h1457162426H236H2b1915+
MFCD01627215
STK068834
ZINC000013898241
ZINC000013898250
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