Vitas-M small molecule compound
1-[(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
Catalog ID
STK302266
SMILES COc1cc(ccc1OC)C1N(N=C2C1CCC/C/2=C\c1ccc(c(c1)OC)OC)C(=O)Cn1nc(cc1C)C(F)(F)F
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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 C31H33F3N4O5 MW 598.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33F3N4O5/c1-18-13-27(31(32,33)34)35-37(18)17-28(39)38-30(21-10-12-24(41-3)26(16-21)43-5)22-8-6-7-20(29(22)36-38)14-19-9-11-23(40-2)25(15-19)42-4/h9-16,22,30H,6-8,17H2,1-5H3/b20-14+InChIKey
WUPIDYIBIUZNCE-XSFVSMFZSA-NSynonyms
512817-33-31((7E)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2(5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ETHANONE
1((7E)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)2(5methyl3(trifluoromethyl)1Hpyrazol1yl)ethanone
512817333
CC1=CC(=NN1CC(=O)N2C(C3CCCC(=CC4=CC(=C(C=C4)OC)OC)C3=N2)C5=CC(=C(C=C5)OC)OC)C(F)(F)F
COc1cc(ccc1OC)C1N(N=C2C1CCCC2=Cc1ccc(c(c1)OC)OC)C(=O)Cn1nc(cc1C)C(F)(F)F
InChI=1SC31H33F3N4O5c1181327(31(3233)34)3537(18)1728(39)3830(21101224(413)26(1621)435)2286720(29(22)3638)141991123(402)25(1519)424h9162230H6817H215H3b2014+
MFCD03467991
ZINC000008455440
ZINC000008455443
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.