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-(naphthalen-1-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL168548
SMILES Fc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)F)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
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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 C36H28F2N6O3 MW 630.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28F2N6O3/c37-25-15-11-21(12-16-25)19-24-7-3-9-28-31(24)40-44(33(28)23-13-17-26(38)18-14-23)30(45)20-42-34-32(39-41-42)35(46)43(36(34)47)29-10-4-6-22-5-1-2-8-27(22)29/h1-2,4-6,8,10-19,28,32-34H,3,7,9,20H2/b24-19+InChIKey
BAJISUPIRASQRW-LYBHJNIJSA-NSynonyms
1025702-92-41(2((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(naphthalen1yl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025702924
3(2((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5NAPHTHALEN1YL3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)F)C1)C(=O)CN4C5C(C(=O)N(C5=O)C6=CC=CC7=CC=CC=C76)N=N4)C8=CC=C(C=C8)F
Fc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)F)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
InChI=1SC36H28F2N6O3c3725151121(121625)19247392831(24)4044(33(28)23131726(38)181423)30(45)20423432(394142)35(46)43(36(34)47)29104622512827(22)29h124681019283234H37920H2b2419+
MFCD03468239
ZINC000150661952
ZINC000245238799
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