Vitas-M small molecule compound
ethyl [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
STL361741
SMILES CCOC(=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 C27H29N3O5 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5/c1-4-35-20(31)15-27-22-21(24(32)30(25(22)33)19-11-7-17(3)8-12-19)23(18-9-5-16(2)6-10-18)29(27)14-13-28-26(27)34/h5-12,21-23H,4,13-15H2,1-3H3,(H,28,34)InChIKey
XMLXGBKNGMFWHC-UHFFFAOYSA-NSynonyms
CCOC(=O)CC12C3C(C(N1CCNC2=O)C4=CC=C(C=C4)C)C(=O)N(C3=O)C5=CC=C(C=C5)C
ethyl(29bis(4methylphenyl)134trioxodecahydro3bHpyrrolo(3434)pyrrolo(12a)pyrazin3byl)acetate
ethyl2(24bis(4methylphenyl)139trioxo3a46789bhexahydropyrrolo(12)pyrrolo(45a)pyrazin9ayl)acetate
InChI=1SC27H29N3O5c143520(31)15272221(24(32)30(25(22)33)1911717(3)81219)23(189516(2)61018)29(27)14132826(27)34h5122123H41315H213H3(H2834)
MFCD28033909
ZINC000107913810
ZINC000245318924
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