Vitas-M small molecule compound
ethyl (6aR,6bS,9aR,10S)-8-(4-methoxyphenyl)-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
STK535872
SMILES CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccc3c(c1C=C2)cccc3)c1ccc(cc1)OC
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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 C28H24N2O5 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5/c1-3-35-28(33)25-24-23(26(31)29(27(24)32)17-9-11-18(34-2)12-10-17)22-15-13-20-19-7-5-4-6-16(19)8-14-21(20)30(22)25/h4-15,22-25H,3H2,1-2H3/t22-,23-,24-,25+/m1/s1InChIKey
NZJCIWPVVMYYEL-VPBXCIAMSA-NSynonyms
(8aR8bS11aR12S)ethyl10(4methoxyphenyl)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)OC
CCOC(=O)C1C2C(C3N1C4=C(C=C3)C5=CC=CC=C5C=C4)C(=O)N(C2=O)C6=CC=C(C=C6)OC
ethyl(6aR6bS9aR10S)8(4methoxyphenyl)79dioxo6b7899a10hexahydro6aHbenzo(f)pyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
InChI=1SC28H24N2O5c133528(33)252423(26(31)29(27(24)32)1791118(342)121017)2215132019754616(19)81421(20)30(22)25h4152225H3H212H3t22232425+m1s1
MFCD18241653
ZINC000009355033
ZINC09355033
ZINC9355033
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.