Vitas-M small molecule compound
ethyl 6-methyl-2-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK841061
SMILES CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2)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 C22H24N2O3S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3S2/c1-3-27-21(26)19-16-11-9-14(2)13-17(16)29-20(19)24-22(28)23-18(25)12-10-15-7-5-4-6-8-15/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H2,23,24,25,28)/b12-10+InChIKey
XLKMQCWQDDQCJM-ZRDIBKRKSA-NSynonyms
481642-65-3(E)ethyl2(3cinnamoylthioureido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
481642653
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C=CC3=CC=CC=C3
CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccccc2)sc2c1CCC(C2)C
ethyl6methyl2((((2E)3phenylprop2enoyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2(((E)3phenylprop2enoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H24N2O3S2c132721(26)191611914(2)1317(16)2920(19)2422(28)2318(25)1210157546815h48101214H391113H212H3(H223242528)b1210+
MFCD00761326
ZINC000000827140
ZINC000000827142
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