Vitas-M small molecule compound
[(7E)-7-(4-methoxybenzylidene)-3-(4-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
STK302094
SMILES COc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)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 C39H36F3N5O3 MW 679.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36F3N5O3/c1-23(2)25-10-12-26(13-11-25)32-21-34(39(40,41)42)46-35(43-32)22-33(44-46)38(48)47-37(27-14-18-30(50-4)19-15-27)31-7-5-6-28(36(31)45-47)20-24-8-16-29(49-3)17-9-24/h8-23,31,37H,5-7H2,1-4H3/b28-20+InChIKey
JEZMFGCGWGJIAO-VFCFBJKWSA-NSynonyms
512814-98-1((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(5(4PROPAN2YLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
512814981
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)C5=N4)C7=CC=C(C=C7)OC
COc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OC)C(=O)c1cc2n(n1)c(cc(n2)c1ccc(cc1)C(C)C)C(F)(F)F
InChI=1SC39H36F3N5O3c123(2)25101226(131125)322134(39(4041)42)4635(4332)2233(4446)38(48)4737(27141830(504)191527)3175628(36(31)4547)202481629(493)17924h8233137H57H214H3b2820+
MFCD03467038
ZINC000008455102
ZINC000008455105
Check stock
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Check stock on Vitas-MAvailable files
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