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]{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl}methanone
Catalog ID
STL403417
SMILES COc1ccc(cc1OC)C1N(N=C2C1CCC/C/2=C\c1ccc(c(c1)OC)OC)C(=O)c1cc2n(n1)c(cc(n2)c1ccc(cc1)C(C)C)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 C41H40F3N5O5 MW 739.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40F3N5O5/c1-23(2)25-11-13-26(14-12-25)30-21-36(41(42,43)44)48-37(45-30)22-31(46-48)40(50)49-39(28-15-17-33(52-4)35(20-28)54-6)29-9-7-8-27(38(29)47-49)18-24-10-16-32(51-3)34(19-24)53-5/h10-23,29,39H,7-9H2,1-6H3/b27-18+InChIKey
KOLGSKOOMUQECR-OVVQPSECSA-NSynonyms
512814-40-3((7E)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(5(4PROPAN2YLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
((7E)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
512814403
CC(C)C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4C(C5CCCC(=CC6=CC(=C(C=C6)OC)OC)C5=N4)C7=CC(=C(C=C7)OC)OC
COc1ccc(cc1OC)C1N(N=C2C1CCCC2=Cc1ccc(c(c1)OC)OC)C(=O)c1cc2n(n1)c(cc(n2)c1ccc(cc1)C(C)C)C(F)(F)F
InChI=1SC41H40F3N5O5c123(2)25111326(141225)302136(41(4243)44)4837(4530)2231(4648)40(50)4939(28151733(524)35(2028)546)2997827(38(29)4749)1824101632(513)34(1924)535h10232939H79H216H3b2718+
MFCD03466886
ZINC000008455022
ZINC000008455025
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