Vitas-M small molecule compound
ethyl 2-({[(2Z)-3-(4-bromophenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK548213
SMILES CCOC(=O)c1c(NC(=S)NC(=O)/C=C\c2ccc(cc2)Br)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 C21H21BrN2O3S2 MW 493.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3S2/c1-2-27-20(26)18-15-5-3-4-6-16(15)29-19(18)24-21(28)23-17(25)12-9-13-7-10-14(22)11-8-13/h7-12H,2-6H2,1H3,(H2,23,24,25,28)/b12-9-InChIKey
DUDCJSDBMVZNII-XFXZXTDPSA-NSynonyms
348164-89-6(Z)ethyl2(3(3(4bromophenyl)acryloyl)thioureido)4567tetrahydrobenzo(b)thiophene3carboxylate
348164896
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Br
CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(cc2)Br)sc2c1CCCC2
ethyl2((((2Z)3(4bromophenyl)prop2enoyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)3(4bromophenyl)prop2enoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H21BrN2O3S2c122720(26)1815534616(15)2919(18)2421(28)2317(25)1291371014(22)11813h712H26H21H3(H223242528)b129
MFCD03667141
ZINC000013646720
ZINC13646720
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