Vitas-M small molecule compound
ethyl 2-({[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK546269
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2sc3c(c2Cl)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 C22H21ClN2O3S3 MW 493.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O3S3/c1-3-28-21(27)16-12-9-8-11(2)10-15(12)31-20(16)25-22(29)24-19(26)18-17(23)13-6-4-5-7-14(13)30-18/h4-7,11H,3,8-10H2,1-2H3,(H2,24,25,26,29)InChIKey
JMQJWFHFYQWMCS-UHFFFAOYSA-NSynonyms
499975-42-7499975427
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl
ethyl2((((3chloro1benzothiophen2yl)carbonyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((3chloro1benzothiophene2carbonyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(3(3chlorobenzo(b)thiophene2carbonyl)thioureido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC22H21ClN2O3S3c132821(27)16129811(2)1015(12)3120(16)2522(29)2419(26)1817(23)13645714(13)3018h4711H3810H212H3(H224252629)
MFCD00761339
ZINC000002195200
ZINC000002195202
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