Vitas-M small molecule compound
ethyl (6aR,6bS,9aR,10S)-8-(4-chlorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-benzo[f]pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Catalog ID
STK535380
SMILES CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccc3c(c1C=C2)cccc3)c1ccc(cc1)Cl
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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 C27H21ClN2O4 MW 472.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O4/c1-2-34-27(33)24-23-22(25(31)29(26(23)32)17-10-8-16(28)9-11-17)21-14-12-19-18-6-4-3-5-15(18)7-13-20(19)30(21)24/h3-14,21-24H,2H2,1H3/t21-,22-,23-,24+/m1/s1InChIKey
MWYWRFTUJZMLGM-YCAMKHIRSA-NSynonyms
(8aR8bS11aR12S)ethyl10(4chlorophenyl)911dioxo8b9101111a12hexahydro8aHbenzo(f)pyrrolo(3434)pyrrolo(12a)quinoline12carboxylate
CCOC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1c1ccc3c(c1C=C2)cccc3)c1ccc(cc1)Cl
CCOC(=O)C1C2C(C3N1C4=C(C=C3)C5=CC=CC=C5C=C4)C(=O)N(C2=O)C6=CC=C(C=C6)Cl
ethyl(6aR6bS9aR10S)8(4chlorophenyl)79dioxo6b7899a10hexahydro6aHbenzo(f)pyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
InChI=1SC27H21ClN2O4c123427(33)242322(25(31)29(26(23)32)1710816(28)91117)2114121918643515(18)71320(19)30(21)24h3142124H2H21H3t21222324+m1s1
MFCD18241643
ZINC000009066150
ZINC09066150
ZINC9066150
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.