Vitas-M small molecule compound
(2-chloro-5-nitrophenyl)[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STL286769
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1cc(ccc1Cl)[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 C31H30ClN3O5 MW 560.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O5/c1-3-39-24-13-8-20(9-14-24)18-22-6-5-7-26-29(22)33-34(30(26)21-10-15-25(16-11-21)40-4-2)31(36)27-19-23(35(37)38)12-17-28(27)32/h8-19,26,30H,3-7H2,1-2H3/b22-18+InChIKey
OVEBLQBUPDIOPA-RELWKKBWSA-NSynonyms
(2CHLORO5NITROPHENYL)((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(2chloro5nitrophenyl)((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)methanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=C(C=CC(=C5)(N+)(=O)(O))Cl
CCOc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC31H30ClN3O5c13392413820(91424)18226572629(22)3334(30(26)21101525(161121)4042)31(36)271923(35(37)38)121728(27)32h8192630H37H212H3b2218+
MFCD01627363
ZINC000097971167
ZINC000097971170
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