Vitas-M small molecule compound
1-{2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305614
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1)c1ccc(cc1)C
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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 C29H26N6O4 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N6O4/c1-18-8-10-19(11-9-18)23-16-24(20-12-14-22(39-2)15-13-20)35(31-23)25(36)17-33-27-26(30-32-33)28(37)34(29(27)38)21-6-4-3-5-7-21/h3-15,24,26-27H,16-17H2,1-2H3InChIKey
TYBYZVMWOIUZKT-UHFFFAOYSA-NSynonyms
1024285-58-21(2(5(4methoxyphenyl)3(4methylphenyl)45dihydro1Hpyrazol1yl)2oxoethyl)5phenyl3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024285582
3(2(3(4METHOXYPHENYL)5(4METHYLPHENYL)34DIHYDROPYRAZOL2YL)2OXOETHYL)5PHENYL3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)CN4C5C(C(=O)N(C5=O)C6=CC=CC=C6)N=N4
InChI=1SC29H26N6O4c11881019(11918)231624(20121422(392)151320)35(3123)25(36)17332726(303233)28(37)34(29(27)38)216435721h315242627H1617H212H3
MFCD04045551
ZINC000013959676
ZINC000245328197
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