Vitas-M small molecule compound
(3,5-dinitrophenyl)[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STL286804
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C31H30N4O7 MW 570.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O7/c1-3-41-26-12-8-20(9-13-26)16-22-6-5-7-28-29(22)32-33(30(28)21-10-14-27(15-11-21)42-4-2)31(36)23-17-24(34(37)38)19-25(18-23)35(39)40/h8-19,28,30H,3-7H2,1-2H3/b22-16+InChIKey
AKSZYOCCHXPUBR-CJLVFECKSA-NSynonyms
(35DINITROPHENYL)((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(35dinitrophenyl)((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)methanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC(=CC(=C5)(N+)(=O)(O))(N+)(=O)(O)
CCOc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC31H30N4O7c13412612820(91326)16226572829(22)3233(30(28)21101427(151121)4242)31(36)231724(34(37)38)1925(1823)35(39)40h8192830H37H212H3b2216+
MFCD03489607
ZINC000097971236
ZINC000097971239
Check stock
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Check stock on Vitas-MAvailable files
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