Vitas-M small molecule compound
ethyl 2-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL355910
SMILES CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2)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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-2-26-20(25)18-15-10-6-7-11-16(15)28-19(18)23-21(27)22-17(24)13-12-14-8-4-3-5-9-14/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H2,22,23,24,27)/b13-12+InChIKey
SMVHPOJKSVUNEO-OUKQBFOZSA-NSynonyms
53162-42-8(E)ethyl2(3cinnamoylthioureido)4567tetrahydrobenzo(b)thiophene3carboxylate
53162428
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C=CC3=CC=CC=C3
CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccccc2)sc2c1CCCC2
ethyl2((((2E)3phenylprop2enoyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3phenylprop2enoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H22N2O3S2c122620(25)181510671116(15)2819(18)2321(27)2217(24)1312148435914h35891213H2671011H21H3(H222232427)b1312+
MFCD00635291
ZINC000000859316
ZINC00859316
ZINC859316
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