Vitas-M small molecule compound
ethyl 3-{[(2-methoxy-4-nitrophenyl)carbamothioyl]amino}benzoate
Catalog ID
STK472983
SMILES CCOC(=O)c1cccc(c1)NC(=S)Nc1ccc(cc1OC)[N+](=O)[O-]
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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 C17H17N3O5S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S/c1-3-25-16(21)11-5-4-6-12(9-11)18-17(26)19-14-8-7-13(20(22)23)10-15(14)24-2/h4-10H,3H2,1-2H3,(H2,18,19,26)InChIKey
HXQBCGAPVZYMRL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=C(C=C2)(N+)(=O)(O))OC
CCOC(=O)c1cccc(c1)NC(=S)Nc1ccc(cc1OC)(N+)(=O)(O)
ETHYL3((((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE
ethyl3(((2methoxy4nitrophenyl)carbamothioyl)amino)benzoate
ethyl3((2methoxy4nitrophenyl)carbamothioylamino)benzoate
InChI=1SC17H17N3O5Sc132516(21)1154612(911)1817(26)19148713(20(22)23)1015(14)242h410H3H212H3(H2181926)
MFCD07081049
ZINC000017076765
ZINC17076765
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