Vitas-M small molecule compound

ethyl 2-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK411011
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3c(s2)cccc3)sc2c1CCC(C2)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 C21H22N2O3S3 MW 446.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S3/c1-3-26-20(25)18-13-9-8-12(2)10-16(13)28-19(18)23-17(24)11-27-21-22-14-6-4-5-7-15(14)29-21/h4-7,12H,3,8-11H2,1-2H3,(H,23,24)
InChIKey
CUWPNYRCQJNUEN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=CC=CC=C4S3
ethyl2(((13benzothiazol2ylsulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(13benzothiazol2ylsulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H22N2O3S3c132620(25)18139812(2)1016(13)2819(18)2317(24)1127212214645715(14)2921h4712H3811H212H3(H2324)
MFCD04057209
ZINC000019645308
ZINC000019645310

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Available files

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