Vitas-M small molecule compound
[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](phenyl)methanone
Catalog ID
STK889122
SMILES O=C(N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\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 C27H22N4O5 MW 482.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5/c32-27(20-5-2-1-3-6-20)29-26(19-11-15-23(16-12-19)31(35)36)24-8-4-7-21(25(24)28-29)17-18-9-13-22(14-10-18)30(33)34/h1-3,5-6,9-17,24,26H,4,7-8H2/b21-17+InChIKey
XBOBHRFVHCOBMV-HEHNFIMWSA-NSynonyms
((7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)PHENYLMETHANONE
((7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)(phenyl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC27H22N4O5c3227(205213620)2926(19111523(161219)31(35)36)2484721(25(24)2829)171891322(141018)30(33)34h13569172426H478H2b2117+
MFCD01627202
O=C(N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O))c1ccccc1
ZINC000033716135
ZINC000038190325
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