Vitas-M small molecule compound
butyl 4-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STK148321
SMILES CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1[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 C19H19N3O5S MW 401.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5S/c1-2-3-12-27-18(24)13-8-10-14(11-9-13)20-19(28)21-17(23)15-6-4-5-7-16(15)22(25)26/h4-11H,2-3,12H2,1H3,(H2,20,21,23,28)InChIKey
SGAXZMGMIKMKPR-UHFFFAOYSA-NSynonyms
BUTYL4((((2NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
BUTYL4((2NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC19H19N3O5Sc123122718(24)1381014(11913)2019(28)2117(23)15645716(15)22(25)26h411H2312H21H3(H220212328)
MFCD02821896
ZINC000004687322
ZINC04687322
ZINC4687322
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Check stock on Vitas-MAvailable files
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