Vitas-M small molecule compound
4-({[(4-methoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK106591
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1)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 C16H13N3O6S MW 375.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O6S/c1-25-13-7-4-10(8-12(13)19(23)24)14(20)18-16(26)17-11-5-2-9(3-6-11)15(21)22/h2-8H,1H3,(H,21,22)(H2,17,18,20,26)InChIKey
JQKRPORSPVGDGL-UHFFFAOYSA-NSynonyms
433947-79-64((((4METHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4((4METHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
433947796
BENZOICACID4((((4METHOXY3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(cc1)C(=O)O
InChI=1SC16H13N3O6Sc125137410(812(13)19(23)24)14(20)1816(26)1711529(3611)15(21)22h28H1H3(H2122)(H217182026)
MFCD03572590
ZINC000003003288
ZINC3003288
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