Vitas-M small molecule compound
ethyl (6aR,6bS,9aR,10S)-8-(2-chloro-5-nitrophenyl)-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
STK537375
SMILES CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccc3c(c1C=C2)cccc3)c1cc(ccc1Cl)[N+](=O)[O-]
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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 C27H20ClN3O6 MW 517.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O6/c1-2-37-27(34)24-23-22(25(32)30(26(23)33)21-13-15(31(35)36)8-10-18(21)28)20-12-9-17-16-6-4-3-5-14(16)7-11-19(17)29(20)24/h3-13,20,22-24H,2H2,1H3/t20-,22-,23-,24+/m1/s1InChIKey
BGGHYNLSYCAQES-BUZMGHMJSA-NSynonyms
(8aR8bS11aR12S)ethyl10(2chloro5nitrophenyl)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)c1cc(ccc1Cl)(N+)(=O)(O)
CCOC(=O)C1C2C(C3N1C4=C(C=C3)C5=CC=CC=C5C=C4)C(=O)N(C2=O)C6=C(C=CC(=C6)(N+)(=O)(O))Cl
ethyl(6aR6bS9aR10S)8(2chloro5nitrophenyl)79dioxo6b7899a10hexahydro6aHbenzo(f)pyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
InChI=1SC27H20ClN3O6c123727(34)242322(25(32)30(26(23)33)211315(31(35)36)81018(21)28)201291716643514(16)71119(17)29(20)24h313202224H2H21H3t20222324+m1s1
MFCD18241687
ZINC000100786912
ZINC100786912
Check stock
See real-time availability and sample size for STK537375 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.