Vitas-M small molecule compound
methyl 2-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate
Catalog ID
STK141293
SMILES COC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1
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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 C18H16N2O3S MW 340.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3S/c1-23-17(22)14-9-5-6-10-15(14)19-18(24)20-16(21)12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H2,19,20,21,24)/b12-11+InChIKey
QAQLWSZEGAVSBN-VAWYXSNFSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=CC=C2
COC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1ccccc1
InChI=1SC18H16N2O3Sc12317(22)149561015(14)1918(24)2016(21)1211137324813h212H1H3(H219202124)b1211+
METHYL2((((2E)3PHENYLPROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOATE
METHYL2((((2E)3PHENYLPROP2ENOYLAMINO)THIOXOMETHYL)AMINO)BENZOATE
METHYL2(((E)3PHENYLPROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD02217509
ZINC000005549941
ZINC05549941
ZINC5549941
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