Vitas-M small molecule compound
4-chloro-3-({[(2-methyl-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK107550
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cc(ccc1Cl)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 C16H12ClN3O5S MW 393.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O5S/c1-8-10(3-2-4-13(8)20(24)25)14(21)19-16(26)18-12-7-9(15(22)23)5-6-11(12)17/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)InChIKey
NEIAGPOUJAFONI-UHFFFAOYSA-NSynonyms
530140-93-34CHLORO3((((2METHYL3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4CHLORO3((2METHYL3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
530140933
BENZOICACID4CHLORO3((((2METHYL3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl
InChI=1SC16H12ClN3O5Sc1810(32413(8)20(24)25)14(21)1916(26)181279(15(22)23)5611(12)17h27H1H3(H2223)(H218192126)
MFCD03564594
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1cc(ccc1Cl)C(=O)O
ZINC000002832629
ZINC2832629
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