Vitas-M small molecule compound
[4-(morpholin-4-yl)-3-nitrophenyl][(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STL286825
SMILES O=C(N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\c1ccc(cc1)[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
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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 C31H28N6O8 MW 612.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N6O8/c38-31(23-8-13-27(28(19-23)37(43)44)33-14-16-45-17-15-33)34-30(21-6-11-25(12-7-21)36(41)42)26-3-1-2-22(29(26)32-34)18-20-4-9-24(10-5-20)35(39)40/h4-13,18-19,26,30H,1-3,14-17H2/b22-18+InChIKey
CSEVLRDDKRAYBV-RELWKKBWSA-NSynonyms
(4(morpholin4yl)3nitrophenyl)((7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)methanone
(4MORPHOLIN4YL3NITROPHENYL)((7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C(=O)C4=CC(=C(C=C4)N5CCOCC5)(N+)(=O)(O))C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC31H28N6O8c3831(2381327(28(1923)37(43)44)33141645171533)3430(2161125(12721)36(41)42)2631222(29(26)3234)18204924(10520)35(39)40h41318192630H131417H2b2218+
MFCD02699423
O=C(N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O))c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
ZINC000096022735
ZINC000097971277
Check stock
See real-time availability and sample size for STL286825 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.