Vitas-M small molecule compound
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL174840
SMILES Clc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=N2)CC(=O)N1N=C(CC1c1ccccc1)c1ccc(cc1)Br
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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 C27H20BrClN6O3 MW 591.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrClN6O3/c28-18-8-6-16(7-9-18)21-14-22(17-4-2-1-3-5-17)35(31-21)23(36)15-33-25-24(30-32-33)26(37)34(27(25)38)20-12-10-19(29)11-13-20/h1-13,22,24-25H,14-15H2InChIKey
IESCYUIWYRKYHR-UHFFFAOYSA-NSynonyms
492425-92-01(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(4chlorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3(2(5(4BROMOPHENYL)3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)5(4CHLOROPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
492425920
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CN3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)N=N3)C6=CC=CC=C6
InChI=1SC27H20BrClN6O3c28188616(7918)211422(174213517)35(3121)23(36)15332524(303233)26(37)34(27(25)38)20121019(29)111320h113222425H1415H2
MFCD03073931
ZINC000102830807
ZINC000245239369
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