Vitas-M small molecule compound
[(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-nitrophenyl)methanone
Catalog ID
STK889270
SMILES COc1cc(ccc1OC)C1C2CCC/C(=C\c3ccc(c(c3)OC)OC)/C2=NN1C(=O)c1ccc(cc1)[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 C31H31N3O7 MW 557.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O7/c1-38-25-14-8-19(17-27(25)40-3)16-21-6-5-7-24-29(21)32-33(31(35)20-9-12-23(13-10-20)34(36)37)30(24)22-11-15-26(39-2)28(18-22)41-4/h8-18,24,30H,5-7H2,1-4H3/b21-16+InChIKey
VHAYLQVBACKSHU-LTGZKZEYSA-NSynonyms
((7E)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4NITROPHENYL)METHANONE
((7E)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)(4nitrophenyl)methanone
COC1=C(C=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))OC
COc1cc(ccc1OC)C1C2CCCC(=Cc3ccc(c(c3)OC)OC)C2=NN1C(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC31H31N3O7c1382514819(1727(25)403)16216572429(21)3233(31(35)2091223(131020)34(36)37)30(24)22111526(392)28(1822)414h8182430H57H214H3b2116+
MFCD01627269
ZINC000102792873
ZINC000104072107
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