Vitas-M small molecule compound
methyl [9-(4-methoxyphenyl)-2-(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3b-yl]acetate
Catalog ID
STL361732
SMILES COC(=O)CC12C(=O)NCCN1C(C1C2C(=O)N(C1=O)c1ccc(cc1)C)c1ccc(cc1)OC
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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 C26H27N3O6 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O6/c1-15-4-8-17(9-5-15)29-23(31)20-21(24(29)32)26(14-19(30)35-3)25(33)27-12-13-28(26)22(20)16-6-10-18(34-2)11-7-16/h4-11,20-22H,12-14H2,1-3H3,(H,27,33)InChIKey
JHUFGLRYBFTRHU-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)NCCN4C3C5=CC=C(C=C5)OC)CC(=O)OC
InChI=1SC26H27N3O6c1154817(9515)2923(31)2021(24(29)32)26(1419(30)353)25(33)27121328(26)22(20)1661018(342)11716h4112022H1214H213H3(H2733)
methyl(9(4methoxyphenyl)2(4methylphenyl)134trioxodecahydro3bHpyrrolo(3434)pyrrolo(12a)pyrazin3byl)acetate
methyl2(4(4methoxyphenyl)2(4methylphenyl)139trioxo3a46789bhexahydropyrrolo(12)pyrrolo(45a)pyrazin9ayl)acetate
MFCD26098415
ZINC000085408763
ZINC000248099553
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