Vitas-M small molecule compound
2-methyl-3-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STL355673
SMILES S=C(Nc1cccc(c1C)C(=O)O)NC(=O)c1ccccc1[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 C16H13N3O5S MW 359.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O5S/c1-9-10(15(21)22)6-4-7-12(9)17-16(25)18-14(20)11-5-2-3-8-13(11)19(23)24/h2-8H,1H3,(H,21,22)(H2,17,18,20,25)InChIKey
CPSJNNRYDDTTJW-UHFFFAOYSA-NSynonyms
433948-62-02methyl3((((2nitrophenyl)carbonyl)carbamothioyl)amino)benzoicacid
2METHYL3((2NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
2methyl3(3(2nitrobenzoyl)thioureido)benzoicacid
433948620
BENZOICACID2METHYL3((((2NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O))C(=O)O
InChI=1SC16H13N3O5Sc1910(15(21)22)64712(9)1716(25)1814(20)11523813(11)19(23)24h28H1H3(H2122)(H217182025)
MFCD03571910
S=C(Nc1cccc(c1C)C(=O)O)NC(=O)c1ccccc1(N+)(=O)(O)
ZINC000002213344
ZINC2213344
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