Vitas-M small molecule compound

1-{2-[(7E)-7-(2,4-dichlorobenzylidene)-3-(2,4-dichlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STK305064
SMILES Clc1ccc(c(c1)Cl)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1Cl)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)c(c(c1F)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 C32H19Cl4F5N6O3 MW 772.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H19Cl4F5N6O3/c33-14-5-4-12(18(35)9-14)8-13-2-1-3-17-26(13)43-47(28(17)16-7-6-15(34)10-19(16)36)20(48)11-45-30-27(42-44-45)31(49)46(32(30)50)29-24(40)22(38)21(37)23(39)25(29)41/h4-10,17,27-28,30H,1-3,11H2/b13-8+
InChIKey
NONBIUFIQJMASZ-MDWZMJQESA-N
Synonyms
1025570-30-2
1(2((7E)7(24dichlorobenzylidene)3(24dichlorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(pentafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025570302
3(2((7E)3(24dichlorophenyl)7((24dichlorophenyl)methylidene)3a456tetrahydro3Hindazol2yl)2oxoethyl)5(23456pentafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
C1CC2C(N(N=C2C(=CC3=C(C=C(C=C3)Cl)Cl)C1)C(=O)CN4C5C(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)N=N4)C7=C(C=C(C=C7)Cl)Cl
Clc1ccc(c(c1)Cl)C1N(N=C2C1CCCC2=Cc1ccc(cc1Cl)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)c(c(c1F)F)F
InChI=1SC32H19Cl4F5N6O3c33145412(18(35)914)8132131726(13)4347(28(17)167615(34)1019(16)36)20(48)11453027(424445)31(49)46(32(30)50)2924(40)22(38)21(37)23(39)25(29)41h41017272830H1311H2b138+
MFCD04049523
ZINC000150650672
ZINC000245327231

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Available files

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