Vitas-M small molecule compound
1-{2-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL176560
SMILES COc1ccccc1N1C(=O)C2C(C1=O)N=NN2CC(=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 C28H23BrN6O4 MW 587.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN6O4/c1-39-23-10-6-5-9-21(23)34-27(37)25-26(28(34)38)33(32-30-25)16-24(36)35-22(18-7-3-2-4-8-18)15-20(31-35)17-11-13-19(29)14-12-17/h2-14,22,25-26H,15-16H2,1H3InChIKey
NLMBSZGEEWFHSO-UHFFFAOYSA-NSynonyms
1024232-39-01(2(3(4bromophenyl)5phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(2methoxyphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024232390
3(2(5(4BROMOPHENYL)3PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)5(2METHOXYPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
COC1=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=1SC28H23BrN6O4c139231065921(23)3427(37)2526(28(34)38)33(323025)1624(36)3522(187324818)1520(3135)17111319(29)141217h214222526H1516H21H3
MFCD04049516
ZINC000098045977
ZINC000103151738
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