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](furan-2-yl)methanone
Catalog ID
STK889303
SMILES COc1ccc(cc1OC)/C=C/1\CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)c1ccco1
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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 C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-33-22-12-10-18(16-25(22)35-3)15-19-7-5-8-21-27(19)30-31(29(32)24-9-6-14-37-24)28(21)20-11-13-23(34-2)26(17-20)36-4/h6,9-17,21,28H,5,7-8H2,1-4H3/b19-15+InChIKey
BSCATFIPBFAAQT-XDJHFCHBSA-NSynonyms
((7E)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(FURAN2YL)METHANONE
((7E)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)(furan2yl)methanone
COC1=C(C=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=CO5)OC
COc1ccc(cc1OC)C=C1CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)c1ccco1
InChI=1SC29H30N2O6c13322121018(1625(22)353)15197582127(19)3031(29(32)2496143724)28(21)20111323(342)26(1720)364h69172128H578H214H3b1915+
MFCD01627273
ZINC000000985744
ZINC000008432304
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