Vitas-M small molecule compound
1-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL168526
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccc2c(c1)cccc2
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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 C33H28N6O4 MW 572.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N6O4/c1-20-7-13-25(14-8-20)38-32(41)30-31(33(38)42)37(36-34-30)19-29(40)39-28(22-11-15-26(43-2)16-12-22)18-27(35-39)24-10-9-21-5-3-4-6-23(21)17-24/h3-17,28,30-31H,18-19H2,1-2H3InChIKey
YYGYPPYTNUGLGR-UHFFFAOYSA-NSynonyms
492424-96-11(2(5(4methoxyphenyl)3(naphthalen2yl)45dihydro1Hpyrazol1yl)2oxoethyl)5(4methylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3(2(3(4METHOXYPHENYL)5NAPHTHALEN2YL34DIHYDROPYRAZOL2YL)2OXOETHYL)5(4METHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
492424961
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(CC(=N4)C5=CC6=CC=CC=C6C=C5)C7=CC=C(C=C7)OC
InChI=1SC33H28N6O4c12071325(14820)3832(41)3031(33(38)42)37(363430)1929(40)3928(22111526(432)161222)1827(3539)2410921534623(21)1724h317283031H1819H212H3
MFCD03073887
ZINC000097959348
ZINC000103160517
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