Vitas-M small molecule compound
diethyl 3-methyl-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STL016059
SMILES CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2)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 C21H22N2O5S2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S2/c1-4-27-19(25)16-13(3)17(20(26)28-5-2)30-18(16)23-21(29)22-15(24)12-11-14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3,(H2,22,23,24,29)/b12-11+InChIKey
ZJUWYDNMXFQWRL-VAWYXSNFSA-NSynonyms
321971-40-8(E)diethyl5(3cinnamoylthioureido)3methylthiophene24dicarboxylate
321971408
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C=CC2=CC=CC=C2
CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccccc2)sc(c1C)C(=O)OCC
diethyl3methyl5((((2E)3phenylprop2enoyl)carbamothioyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5(((E)3PHENYLPROP2ENOYL)CARBAMOTHIOYLAMINO)THIOPHENE24DICARBOXYLATE
ETHYL2((((2E)3PHENYLPROP2ENOYLAMINO)THIOXOMETHYL)AMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H22N2O5S2c142719(25)1613(3)17(20(26)2852)3018(16)2321(29)2215(24)12111497681014h612H45H213H3(H222232429)b1211+
MFCD00721560
ZINC000001879910
ZINC01879910
ZINC1879910
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