Vitas-M small molecule compound
ethyl 4-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STK148157
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccc(c1C)[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 C18H17N3O5S MW 387.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O5S/c1-3-26-17(23)12-7-9-13(10-8-12)19-18(27)20-16(22)14-5-4-6-15(11(14)2)21(24)25/h4-10H,3H2,1-2H3,(H2,19,20,22,27)InChIKey
MLLTZSAVULQXDT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C(=CC=C2)(N+)(=O)(O))C
CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccc(c1C)(N+)(=O)(O)
ETHYL4((((2METHYL3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
ETHYL4(((2METHYL3NITROBENZOYL)CARBAMOTHIOYL)AMINO)BENZOATE
ETHYL4((2METHYL3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC18H17N3O5Sc132617(23)127913(10812)1918(27)2016(22)1454615(11(14)2)21(24)25h410H3H212H3(H219202227)
MFCD03030702
ZINC000001183132
ZINC01183132
ZINC1183132
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