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-(2-bromo-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL175902
SMILES Cc1ccc(c(c1)Br)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 C33H29BrN6O3 MW 637.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29BrN6O3/c1-20-15-16-26(25(34)17-20)39-32(42)29-31(33(39)43)38(37-35-29)19-27(41)40-30(22-11-6-3-7-12-22)24-14-8-13-23(28(24)36-40)18-21-9-4-2-5-10-21/h2-7,9-12,15-18,24,29-31H,8,13-14,19H2,1H3/b23-18+InChIKey
WWVHJAAMAWSDGU-PTGBLXJZSA-NSynonyms
1025563-97-61(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2oxoethyl)5(2bromo4methylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025563976
3(2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(2BROMO4METHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(C5CCCC(=CC6=CC=CC=C6)C5=N4)C7=CC=CC=C7)Br
Cc1ccc(c(c1)Br)N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC33H29BrN6O3c120151626(25(34)1720)3932(42)2931(33(39)43)38(373529)1927(41)4030(22116371222)241481323(28(24)3640)182194251021h279121518242931H8131419H21H3b2318+
MFCD03466648
ZINC000150664048
ZINC000245241067
Check stock
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