Vitas-M small molecule compound
2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK102270
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1C(=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 C17H15N3O6S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O6S/c1-2-26-14-8-7-10(9-13(14)20(24)25)15(21)19-17(27)18-12-6-4-3-5-11(12)16(22)23/h3-9H,2H2,1H3,(H,22,23)(H2,18,19,21,27)InChIKey
MUAOHPZCTBZJBT-UHFFFAOYSA-NSynonyms
433971-97-22((((4ETHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2((4ETHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
433971972
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccccc1C(=O)O
InChI=1SC17H15N3O6Sc1226148710(913(14)20(24)25)15(21)1917(27)1812643511(12)16(22)23h39H2H21H3(H2223)(H218192127)
MFCD03243926
ZINC000003000055
ZINC3000055
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