Vitas-M small molecule compound
[(7E)-7-(2-methoxybenzylidene)-3-(2-methoxyphenyl)-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
STL398320
SMILES COc1ccccc1C1N(N=C2C1CCC/C/2=C\c1ccccc1OC)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 C39H36F3N5O3 MW 679.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36F3N5O3/c1-23(2)24-16-18-25(19-17-24)30-21-34(39(40,41)42)46-35(43-30)22-31(44-46)38(48)47-37(28-12-6-8-15-33(28)50-4)29-13-9-11-27(36(29)45-47)20-26-10-5-7-14-32(26)49-3/h5-8,10,12,14-23,29,37H,9,11,13H2,1-4H3/b27-20+InChIKey
HKOHJADNHUKVTC-NHFJDJAPSA-NSynonyms
512815-26-8((7E)3(2METHOXYPHENYL)7((2METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(5(4PROPAN2YLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
((7E)7(2methoxybenzylidene)3(2methoxyphenyl)33a4567hexahydro2Hindazol2yl)(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
512815268
CC(C)C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4C(C5CCCC(=CC6=CC=CC=C6OC)C5=N4)C7=CC=CC=C7OC
COc1ccccc1C1N(N=C2C1CCCC2=Cc1ccccc1OC)C(=O)c1cc2n(n1)c(cc(n2)c1ccc(cc1)C(C)C)C(F)(F)F
InChI=1SC39H36F3N5O3c123(2)24161825(191724)302134(39(4041)42)4635(4330)2231(4446)38(48)4737(2812681533(28)504)291391127(36(29)4547)202610571432(26)493h58101214232937H91113H214H3b2720+
MFCD03467085
ZINC000008455124
ZINC000008455127
Check stock
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Check stock on Vitas-MAvailable files
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