Vitas-M small molecule compound
[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-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
STK302083
SMILES CCOc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)OCC)/C2=NN1C(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)C(C)C
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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 C41H40F3N5O3 MW 707.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40F3N5O3/c1-5-51-31-18-10-26(11-19-31)22-30-8-7-9-33-38(30)47-49(39(33)29-16-20-32(21-17-29)52-6-2)40(50)35-24-37-45-34(23-36(41(42,43)44)48(37)46-35)28-14-12-27(13-15-28)25(3)4/h10-25,33,39H,5-9H2,1-4H3/b30-22+InChIKey
GDRYFAQFUUUKHQ-JBASAIQMSA-NSynonyms
512814-81-2((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(5(4PROPAN2YLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
512814812
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=NN6C(=CC(=NC6=C5)C7=CC=C(C=C7)C(C)C)C(F)(F)F
CCOc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)OCC)C2=NN1C(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)C(C)C
InChI=1SC41H40F3N5O3c155131181026(111931)22308793338(30)4749(39(33)29162032(211729)5262)40(50)3524374534(2336(41(4243)44)48(37)4635)28141227(131528)25(3)4h10253339H59H214H3b3022+
MFCD03466989
ZINC000008455068
ZINC000008455071
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