Vitas-M small molecule compound
methyl [2-(4-methylphenyl)-1,3,4-trioxo-9-phenyldecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3b-yl]acetate
Catalog ID
STL361734
SMILES COC(=O)CC12C(=O)NCCN2C(C2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1
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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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-15-8-10-17(11-9-15)28-22(30)19-20(23(28)31)25(14-18(29)33-2)24(32)26-12-13-27(25)21(19)16-6-4-3-5-7-16/h3-11,19-21H,12-14H2,1-2H3,(H,26,32)InChIKey
KSQBJQBUSNNORM-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)NCCN4C3C5=CC=CC=C5)CC(=O)OC
InChI=1SC25H25N3O5c11581017(11915)2822(30)1920(23(28)31)25(1418(29)332)24(32)26121327(25)21(19)166435716h3111921H1214H212H3(H2632)
methyl(2(4methylphenyl)134trioxo9phenyldecahydro3bHpyrrolo(3434)pyrrolo(12a)pyrazin3byl)acetate
methyl2(2(4methylphenyl)139trioxo4phenyl3a46789bhexahydropyrrolo(12)pyrrolo(45a)pyrazin9ayl)acetate
MFCD28033902
ZINC000095115747
ZINC000248104303
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