Vitas-M small molecule compound
diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK163626
SMILES CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(cc2)Cl)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 C21H21ClN2O5S2 MW 480.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O5S2/c1-4-28-19(26)16-12(3)17(20(27)29-5-2)31-18(16)24-21(30)23-15(25)11-8-13-6-9-14(22)10-7-13/h6-11H,4-5H2,1-3H3,(H2,23,24,25,30)/b11-8+InChIKey
QDJJXLKYJXINDU-DHZHZOJOSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl
CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(cc2)Cl)sc(c1C)C(=O)OCC
DIETHYL5((((2E)3(4CHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
DIETHYL5(((E)3(4CHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC21H21ClN2O5S2c142819(26)1612(3)17(20(27)2952)3118(16)2421(30)2315(25)118136914(22)10713h611H45H213H3(H223242530)b118+
MFCD03227187
ZINC000002996695
ZINC02996695
ZINC2996695
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