Vitas-M small molecule compound
ethyl 4-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}benzoate
Catalog ID
STK456912
SMILES CCOC(=O)c1ccc(cc1)NC(=S)Nc1cc(ccc1OC)[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)11-4-6-12(7-5-11)18-17(26)19-14-10-13(20(22)23)8-9-15(14)24-2/h4-10H,3H2,1-2H3,(H2,18,19,26)InChIKey
MKRPZIKCWVWYLM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)(N+)(=O)(O))OC
CCOC(=O)c1ccc(cc1)NC(=S)Nc1cc(ccc1OC)(N+)(=O)(O)
ETHYL4((((2METHOXY5NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE
ethyl4(((2methoxy5nitrophenyl)carbamothioyl)amino)benzoate
ETHYL4((2METHOXY5NITROPHENYL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC17H17N3O5Sc132516(21)114612(7511)1817(26)19141013(20(22)23)8915(14)242h410H3H212H3(H2181926)
MFCD04220319
ZINC000001119993
ZINC01119993
ZINC1119993
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