Vitas-M small molecule compound
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305090
SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1C
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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 C28H23BrN6O3 MW 571.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN6O3/c1-17-7-5-6-10-22(17)34-27(37)25-26(28(34)38)33(32-30-25)16-24(36)35-23(19-8-3-2-4-9-19)15-21(31-35)18-11-13-20(29)14-12-18/h2-14,23,25-26H,15-16H2,1H3InChIKey
PWIUDMCWCSMKSF-UHFFFAOYSA-NSynonyms
1024311-04-31(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(2methylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024311043
3(2(5(4BROMOPHENYL)3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)5(2METHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=CC=CC=C6
InChI=1SC28H23BrN6O3c1177561022(17)3427(37)2526(28(34)38)33(323025)1624(36)3523(198324919)1521(3135)18111320(29)141218h214232526H1516H21H3
MFCD04049514
ZINC000098046032
ZINC000226726698
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