Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-10-(4-acetylphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK557912
SMILES O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)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 C29H22N2O4 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O4/c1-17(32)18-11-13-21(14-12-18)31-28(34)23-24(29(31)35)26(27(33)20-8-3-2-4-9-20)30-16-15-19-7-5-6-10-22(19)25(23)30/h2-16,23-26H,1H3/t23-,24+,25+,26-/m0/s1InChIKey
LXHCKOZGWWVNBG-QUMGSSFMSA-NSynonyms
1014003-83-8(8S8aR11aS11bS)10(4acetylphenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS11bS)10(4acetylphenyl)8benzoyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014003838
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
InChI=1SC29H22N2O4c117(32)18111321(141218)3128(34)2324(29(31)35)26(27(33)208324920)301615197561022(19)25(23)30h2162326H1H3t2324+25+26m0s1
MFCD18243044
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)c1ccccc1
ZINC000018145201
ZINC18145201
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.