Vitas-M small molecule compound
methyl 2-{[(2-methoxybenzyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436365
SMILES COc1ccccc1CNC(=S)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C19H22N2O3S2 MW 390.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O3S2/c1-23-14-9-5-3-7-12(14)11-20-19(25)21-17-16(18(22)24-2)13-8-4-6-10-15(13)26-17/h3,5,7,9H,4,6,8,10-11H2,1-2H3,(H2,20,21,25)InChIKey
PVACBRXSUTUUIF-UHFFFAOYSA-NSynonyms
COC1=CC=CC=C1CNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC19H22N2O3S2c12314953712(14)112019(25)211716(18(22)242)138461015(13)2617h3579H4681011H212H3(H2202125)
methyl2(((2methoxybenzyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2methoxyphenyl)methylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03944690
ZINC000006762536
ZINC06762536
ZINC6762536
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