Vitas-M small molecule compound
ethyl 2-[4-(acetyloxy)-3-methoxyphenyl]-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STL055014
SMILES CCOC(=O)C1(C#N)C(c2ccc(c(c2)OC)OC(=O)C)C(N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
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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 C34H30N2O8 MW 594.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O8/c1-5-42-33(40)34(19-35)29-17-13-22-8-6-7-9-26(22)36(29)31(32(39)23-10-14-25(15-11-23)43-20(2)37)30(34)24-12-16-27(44-21(3)38)28(18-24)41-4/h6-18,29-31H,5H2,1-4H3InChIKey
QMHDHWVBSKKDIG-UHFFFAOYSA-NSynonyms
(1R2R3R3aS)ethyl2(4acetoxy3methoxyphenyl)1(4acetoxybenzoyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
CCOC(=O)(C@)1(C#N)(C@@H)(c2ccc(c(c2)OC)OC(=O)C)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)C5=CC=C(C=C5)OC(=O)C)C#N
ETHYL1(4ACETYLOXYBENZOYL)2(4ACETYLOXY3METHOXYPHENYL)3CYANO23ADIHYDRO1HPYRROLO(12A)QUINOLINE3CARBOXYLATE
ethyl2(4(acetyloxy)3methoxyphenyl)1((4(acetyloxy)phenyl)carbonyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
InChI=1SC34H30N2O8c154233(40)34(1935)29171322867926(22)36(29)31(32(39)23101425(151123)4320(2)37)30(34)24121627(4421(3)38)28(1824)414h6182931H5H214H3
MFCD05738389
ZINC000106020131
ZINC000245247152
Check stock
See real-time availability and sample size for STL055014 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.