Vitas-M small molecule compound
2-methyl-3-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK050048
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cccc(c1C)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 C17H15N3O5S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5S/c1-9-12(16(22)23)6-3-7-13(9)18-17(26)19-15(21)11-5-4-8-14(10(11)2)20(24)25/h3-8H,1-2H3,(H,22,23)(H2,18,19,21,26)InChIKey
MDCJOOBWCRPXNK-UHFFFAOYSA-NSynonyms
2METHYL3((((2METHYL3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2METHYL3((2METHYL3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
BENZOICACID2METHYL3((((2METHYL3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C(=CC=C2)(N+)(=O)(O))C)C(=O)O
InChI=1SC17H15N3O5Sc1912(16(22)23)63713(9)1817(26)1915(21)1154814(10(11)2)20(24)25h38H12H3(H2223)(H218192126)
MFCD03567653
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1cccc(c1C)C(=O)O
STK050048
ZINC000006265990
ZINC6265990
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