Vitas-M small molecule compound

[(7E)-5-methyl-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-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
STK302112
SMILES CC1C/C(=C\c2cccs2)/C2=NN(C(C2C1)c1cccs1)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 C34H30F3N5OS2 MW 645.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30F3N5OS2/c1-19(2)21-8-10-22(11-9-21)26-17-29(34(35,36)37)41-30(38-26)18-27(39-41)33(43)42-32(28-7-5-13-45-28)25-15-20(3)14-23(31(25)40-42)16-24-6-4-12-44-24/h4-13,16-20,25,32H,14-15H2,1-3H3/b23-16+
InChIKey
SGNJZIKVPVEIEU-XQNSMLJCSA-N
Synonyms
1025643-45-1
((7E)5methyl3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
((7E)5METHYL3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(5(4PROPAN2YLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
1025643451
CC1CC(=Cc2cccs2)C2=NN(C(C2C1)c1cccs1)C(=O)c1cc2n(n1)c(cc(n2)c1ccc(cc1)C(C)C)C(F)(F)F
CC1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)C4=NN5C(=CC(=NC5=C4)C6=CC=C(C=C6)C(C)C)C(F)(F)F)C7=CC=CS7
InChI=1SC34H30F3N5OS2c119(2)2181022(11921)261729(34(3536)37)4130(3826)1827(3941)33(43)4232(2875134528)251520(3)1423(31(25)4042)162464124424h41316202532H1415H213H3b2316+
MFCD03467113
ZINC000008455142
ZINC000245240744

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Available files

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