Vitas-M small molecule compound
methyl [2-(3-chlorophenyl)-1,3,4-trioxo-9-phenyldecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3b-yl]acetate
Catalog ID
STL361738
SMILES COC(=O)CC12C(=O)NCCN2C(C2C1C(=O)N(C2=O)c1cccc(c1)Cl)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 C24H22ClN3O5 MW 467.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O5/c1-33-17(29)13-24-19-18(21(30)28(22(19)31)16-9-5-8-15(25)12-16)20(14-6-3-2-4-7-14)27(24)11-10-26-23(24)32/h2-9,12,18-20H,10-11,13H2,1H3,(H,26,32)InChIKey
IIMWOQANWNZMRW-UHFFFAOYSA-NSynonyms
COC(=O)CC12C3C(C(N1CCNC2=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC(=CC=C5)Cl
InChI=1SC24H22ClN3O5c13317(29)13241918(21(30)28(22(19)31)1695815(25)1216)20(146324714)27(24)11102623(24)32h29121820H101113H21H3(H2632)
methyl(2(3chlorophenyl)134trioxo9phenyldecahydro3bHpyrrolo(3434)pyrrolo(12a)pyrazin3byl)acetate
methyl2(2(3chlorophenyl)139trioxo4phenyl3a46789bhexahydropyrrolo(12)pyrrolo(45a)pyrazin9ayl)acetate
MFCD28033906
ZINC000107913782
ZINC000245253879
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