Vitas-M small molecule compound
4-{[(6aS,6bR,9aS,10R)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenyl acetate
Catalog ID
STL527773
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)NC(=O)[C@H]2[C@H]2N1c1ccccc1C=C2
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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 C23H18N2O5 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O5/c1-12(26)30-15-9-6-14(7-10-15)21(27)20-19-18(22(28)24-23(19)29)17-11-8-13-4-2-3-5-16(13)25(17)20/h2-11,17-20H,1H3,(H,24,28,29)/t17-,18-,19-,20+/m0/s1InChIKey
CQMAKBJXOGAUTD-LWYYNNOASA-NSynonyms
957023-38-0(4((10~(S)11~(R)15~(S)16~(R))1214dioxo113diazatetracyclo(8600^(27)0^(1115))hexadeca2468tetraene16carbonyl)phenyl)acetate
4(((6aS6bR9aS10R)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin10yl)carbonyl)phenylacetate
4((6aS6bR9aS10R)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carbonyl)phenylacetate
7069555
957023380
CC(=O)Oc1ccc(cc1)C(=O)(C@H)1(C@H)2C(=O)NC(=O)(C@H)2(C@H)2N1c1ccccc1C=C2
InChI=1SC23H18N2O5c112(26)30159614(71015)21(27)201918(22(28)2423(19)29)1711813423516(13)25(17)20h2111720H1H3(H242829)t17181920+m0s1
MFCD03661024
ZINC000018128868
ZINC18128868
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