Vitas-M small molecule compound
ethyl 2-({[(5-bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK005220
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)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 C19H18BrClN2O3S2 MW 501.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrClN2O3S2/c1-2-26-18(25)15-11-5-3-4-6-14(11)28-17(15)23-19(27)22-16(24)12-9-10(20)7-8-13(12)21/h7-9H,2-6H2,1H3,(H2,22,23,24,27)InChIKey
SXCVZKDIGXQIBB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)sc2c1CCCC2
ethyl2((((5bromo2chlorophenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((5bromo2chlorobenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H18BrClN2O3S2c122618(25)1511534614(11)2817(15)2319(27)2216(24)12910(20)7813(12)21h79H26H21H3(H222232427)
MFCD02630779
STK005220
ZINC000002052095
ZINC02052095
ZINC2052095
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