Vitas-M small molecule compound

ethyl 2-{[(3,4-dimethoxyphenyl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK419097
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)OC)OC)sc2c1CCC(C2)CC

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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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-5-13-7-9-15-18(11-13)29-21(19(15)22(25)28-6-2)23-20(24)14-8-10-16(26-3)17(12-14)27-4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,23,24)
InChIKey
HKJQCPSXJQMVQW-UHFFFAOYSA-N
Synonyms
353477-43-7
353477437
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=C(C=C3)OC)OC
ethyl2(((34dimethoxyphenyl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((34dimethoxybenzoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H27NO5Sc1513791518(1113)2921(19(15)22(25)2862)2320(24)1481016(263)17(1214)274h8101213H57911H214H3(H2324)
MFCD01355869
ZINC000000997404
ZINC000000997405

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.