Vitas-M small molecule compound
methyl [2,9-bis(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3b-yl]acetate
Catalog ID
STL361567
SMILES COC(=O)CC12C(=O)NCCN2C(C2C1C(=O)N(C2=O)c1ccc(cc1)C)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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-15-4-8-17(9-5-15)22-20-21(24(32)29(23(20)31)18-10-6-16(2)7-11-18)26(14-19(30)34-3)25(33)27-12-13-28(22)26/h4-11,20-22H,12-14H2,1-3H3,(H,27,33)InChIKey
YJFZFCJZWKCSLL-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C)C5(N2CCNC5=O)CC(=O)OC
InChI=1SC26H27N3O5c1154817(9515)222021(24(32)29(23(20)31)1810616(2)71118)26(1419(30)343)25(33)27121328(22)26h4112022H1214H213H3(H2733)
methyl(29bis(4methylphenyl)134trioxodecahydro3bHpyrrolo(3434)pyrrolo(12a)pyrazin3byl)acetate
methyl2(24bis(4methylphenyl)139trioxo3a46789bhexahydropyrrolo(12)pyrrolo(45a)pyrazin9ayl)acetate
MFCD11082110
ZINC000019960843
ZINC000245228017
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