Vitas-M small molecule compound
1-{2-[(7E)-7-benzylidene-3-phenyl-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
STL174843
SMILES O=C(N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)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 C32H23F5N6O3 MW 634.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23F5N6O3/c33-21-22(34)24(36)29(25(37)23(21)35)42-31(45)27-30(32(42)46)41(40-38-27)15-20(44)43-28(17-10-5-2-6-11-17)19-13-7-12-18(26(19)39-43)14-16-8-3-1-4-9-16/h1-6,8-11,14,19,27-28,30H,7,12-13,15H2/b18-14+InChIKey
DAWZJVTYWREIHY-NBVRZTHBSA-NSynonyms
1024701-58-31(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2oxoethyl)5(pentafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024701583
3(2((7E)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)2oxoethyl)5(23456pentafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)CN4C5C(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)N=N4)C7=CC=CC=C7
InChI=1SC32H23F5N6O3c332122(34)24(36)29(25(37)23(21)35)4231(45)2730(32(42)46)41(403827)1520(44)4328(17105261117)191371218(26(19)3943)14168314916h168111419272830H7121315H2b1814+
MFCD03465226
O=C(N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)c(c(c1F)F)F
ZINC000150661945
ZINC000245238966
Check stock
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