Vitas-M small molecule compound
4-chloro-3-({[(4-methoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STL355668
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)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 C16H12ClN3O6S MW 409.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O6S/c1-26-13-5-3-8(7-12(13)20(24)25)14(21)19-16(27)18-11-6-9(15(22)23)2-4-10(11)17/h2-7H,1H3,(H,22,23)(H2,18,19,21,27)InChIKey
MEYKUBMIUVUWOH-UHFFFAOYSA-NSynonyms
532417-18-84chloro3((((4methoxy3nitrophenyl)carbonyl)carbamothioyl)amino)benzoicacid
4CHLORO3((4METHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
4chloro3(3(4methoxy3nitrobenzoyl)thioureido)benzoicacid
532417188
BENZOICACID4CHLORO3((((4METHOXY3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1Cl)C(=O)O
InChI=1SC16H12ClN3O6Sc12613538(712(13)20(24)25)14(21)1916(27)181169(15(22)23)2410(11)17h27H1H3(H2223)(H218192127)
MFCD03569784
ZINC000002236001
ZINC2236001
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