Vitas-M small molecule compound
1-{2-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-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
STL176577
SMILES Fc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)F)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 C32H21F7N6O3 MW 670.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H21F7N6O3/c33-17-8-4-14(5-9-17)12-16-2-1-3-19-26(16)41-45(28(19)15-6-10-18(34)11-7-15)20(46)13-43-30-27(40-42-43)31(47)44(32(30)48)29-24(38)22(36)21(35)23(37)25(29)39/h4-12,19,27-28,30H,1-3,13H2/b16-12+InChIKey
JDRWLVAGSXHNPM-FOWTUZBSSA-NSynonyms
1025149-19-21(2((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(pentafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025149192
3(2((7E)3(4fluorophenyl)7((4fluorophenyl)methylidene)3a456tetrahydro3Hindazol2yl)2oxoethyl)5(23456pentafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)F)C1)C(=O)CN4C5C(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)N=N4)C7=CC=C(C=C7)F
Fc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)F)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)c(c(c1F)F)F
InChI=1SC32H21F7N6O3c33178414(5917)12162131926(16)4145(28(19)1561018(34)11715)20(46)13433027(404243)31(47)44(32(30)48)2924(38)22(36)21(35)23(37)25(29)39h41219272830H1313H2b1612+
MFCD04049645
ZINC000150664057
ZINC000245253606
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