Vitas-M small molecule compound
2-methyl-3-({[(3-methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK102006
SMILES S=C(Nc1cccc(c1C)C(=O)O)NC(=O)c1ccc(c(c1)C)[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 C17H15N3O5S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5S/c1-9-8-11(6-7-14(9)20(24)25)15(21)19-17(26)18-13-5-3-4-12(10(13)2)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,18,19,21,26)InChIKey
MGEJHNMCECUOOR-UHFFFAOYSA-NSynonyms
2METHYL3((((3METHYL4NITROBENZOYL)AMINO)CARBONOTHIOYL)AMINO)BENZOICACID
2METHYL3((((3METHYL4NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2METHYL3((3METHYL4NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
BENZOICACID2METHYL3((((3METHYL4NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)(N+)(=O)(O)
InChI=1SC17H15N3O5Sc19811(6714(9)20(24)25)15(21)1917(26)181353412(10(13)2)16(22)23h38H12H3(H2223)(H218192126)
MFCD03564211
S=C(Nc1cccc(c1C)C(=O)O)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000002827619
ZINC2827619
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