Vitas-M small molecule compound

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

Catalog ID
STK125996
SMILES COc1ccc(cc1)OCC(=O)NC(=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 C20H22N2O5S2 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S2/c1-25-12-7-9-13(10-8-12)27-11-16(23)21-20(28)22-18-17(19(24)26-2)14-5-3-4-6-15(14)29-18/h7-10H,3-6,11H2,1-2H3,(H2,21,22,23,28)
InChIKey
LYRNVFZCACFVTR-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC20H22N2O5S2c125127913(10812)271116(23)2120(28)221817(19(24)262)14534615(14)2918h710H3611H212H3(H221222328)
methyl2((((4methoxyphenoxy)acetyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4methoxyphenoxy)acetyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03623149
ZINC000000676702
ZINC00676702
ZINC676702

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Available files

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