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-(3-bromophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL175900
SMILES Brc1cccc(c1)N1C(=O)C2C(C1=O)N(N=N2)CC(=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/c33-23-14-8-15-24(18-23)38-31(41)28-30(32(38)42)37(36-34-28)19-26(40)39-29(21-11-5-2-6-12-21)25-16-7-13-22(27(25)35-39)17-20-9-3-1-4-10-20/h1-6,8-12,14-15,17-18,25,28-30H,7,13,16,19H2/b22-17+InChIKey
ZTZQBWCQGCBWND-OQKWZONESA-NSynonyms
1025529-50-31(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2oxoethyl)5(3bromophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025529503
3(2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(3BROMOPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
Brc1cccc(c1)N1C(=O)C2C(C1=O)N(N=N2)CC(=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(=CC=C6)Br)N=N4)C7=CC=CC=C7
InChI=1SC32H27BrN6O3c33231481524(1823)3831(41)2830(32(38)42)37(363428)1926(40)3929(21115261221)251671322(27(25)3539)172093141020h1681214151718252830H7131619H2b2217+
MFCD03466605
ZINC000105294569
ZINC000245225918
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