Vitas-M small molecule compound

methyl 2-[(3,4-dihydroquinolin-1(2H)-ylcarbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK437263
SMILES COC(=O)c1c(NC(=S)N2CCCc3c2cccc3)sc2c1CCCC2

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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 C20H22N2O2S2 MW 386.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O2S2/c1-24-19(23)17-14-9-3-5-11-16(14)26-18(17)21-20(25)22-12-6-8-13-7-2-4-10-15(13)22/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3,(H,21,25)
InChIKey
ZJJRXFNJDHGDBW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCCC4=CC=CC=C43
InChI=1SC20H22N2O2S2c12419(23)17149351116(14)2618(17)2120(25)221268137241015(13)22h24710H356891112H21H3(H2125)
methyl2((34dihydroquinolin1(2H)ylcarbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(34dihydro2Hquinoline1carbothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03944721
ZINC000006288184
ZINC06288184
ZINC6288184

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Available files

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