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-(4-bromophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL168529
SMILES Brc1ccc(cc1)N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1
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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 C32H27BrN6O3 MW 623.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27BrN6O3/c33-23-14-16-24(17-15-23)38-31(41)28-30(32(38)42)37(36-34-28)19-26(40)39-29(21-10-5-2-6-11-21)25-13-7-12-22(27(25)35-39)18-20-8-3-1-4-9-20/h1-6,8-11,14-18,25,28-30H,7,12-13,19H2/b22-18+InChIKey
QQCVTZCGRGJPIF-RELWKKBWSA-NSynonyms
1025300-79-11(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2oxoethyl)5(4bromophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025300791
3(2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(4BROMOPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
Brc1ccc(cc1)N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)CN4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)Br)N=N4)C7=CC=CC=C7
InChI=1SC32H27BrN6O3c3323141624(171523)3831(41)2830(32(38)42)37(363428)1926(40)3929(21105261121)251371222(27(25)3539)18208314920h168111418252830H7121319H2b2218+
MFCD03073939
ZINC000105417538
ZINC000245240611
Check stock
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Check stock on Vitas-MAvailable files
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