Vitas-M small molecule compound
4-methoxy-3-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK027855
SMILES COc1ccc(cc1NC(=S)NC(=O)c1cccc(c1C)[N+](=O)[O-])C(=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/c1-9-11(4-3-5-13(9)20(24)25)15(21)19-17(27)18-12-8-10(16(22)23)6-7-14(12)26-2/h3-8H,1-2H3,(H,22,23)(H2,18,19,21,27)InChIKey
NXTUXHITSWLWIU-UHFFFAOYSA-NSynonyms
4METHOXY3((((2METHYL3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHOXY3((2METHYL3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
4METHOXY3(3(2METHYL3NITROBENZOYL)THIOUREIDO)BENZOICACID
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC
COc1ccc(cc1NC(=S)NC(=O)c1cccc(c1C)(N+)(=O)(O))C(=O)O
InChI=1SC17H15N3O6Sc1911(43513(9)20(24)25)15(21)1917(27)1812810(16(22)23)6714(12)262h38H12H3(H2223)(H218192127)
MFCD03573383
STK027855
ZINC000003461536
ZINC3461536
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