Vitas-M small molecule compound
cyclohexyl[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STL286824
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 C27H28N4O5 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5/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/h9-17,20,24,26H,1-8H2/b21-17+InChIKey
MZOBLMHJOUWZBD-HEHNFIMWSA-NSynonyms
C1CCC(CC1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)(N+)(=O)(O))C3=N2)C5=CC=C(C=C5)(N+)(=O)(O)
CYCLOHEXYL((7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
cyclohexyl((7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)methanone
InChI=1SC27H28N4O5c3227(205213620)2926(19111523(161219)31(35)36)2484721(25(24)2829)171891322(141018)30(33)34h917202426H18H2b2117+
MFCD02699481
ZINC000012631402
ZINC000012631413
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