Vitas-M small molecule compound

diethyl 5-({[(5-bromo-2-chlorophenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK003888
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)sc(c1C)C(=O)OCC

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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 C19H18BrClN2O5S2 MW 533.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrClN2O5S2/c1-4-27-17(25)13-9(3)14(18(26)28-5-2)30-16(13)23-19(29)22-15(24)11-8-10(20)6-7-12(11)21/h6-8H,4-5H2,1-3H3,(H2,22,23,24,29)
InChIKey
LVCBIBZNVVZYBS-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)sc(c1C)C(=O)OCC
DIETHYL5((((5BROMO2CHLOROBENZOYL)AMINO)CARBOTHIOYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
DIETHYL5((((5BROMO2CHLOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
DIETHYL5(((5BROMO2CHLOROBENZOYL)CARBAMOTHIOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
DIETHYL5((5BROMO2CHLOROBENZOYL)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC19H18BrClN2O5S2c142717(25)139(3)14(18(26)2852)3016(13)2319(29)2215(24)11810(20)6712(11)21h68H45H213H3(H222232429)
MFCD02630985
STK003888
ZINC000002052371
ZINC02052371
ZINC2052371

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.