Vitas-M small molecule compound
3-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid
Catalog ID
STK106152
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cccc(c1C)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 C18H17N3O6S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6S/c1-3-27-15-8-7-11(9-14(15)21(25)26)16(22)20-18(28)19-13-6-4-5-12(10(13)2)17(23)24/h4-9H,3H2,1-2H3,(H,23,24)(H2,19,20,22,28)InChIKey
NEUWDQHNFGKWAD-UHFFFAOYSA-NSynonyms
434309-55-43((((4ETHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)2METHYLBENZOICACID
3((4ETHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)2METHYLBENZOICACID
434309554
BENZOICACID3((((4ETHOXY3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)2METHYL
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cccc(c1C)C(=O)O
InChI=1SC18H17N3O6Sc1327158711(914(15)21(25)26)16(22)2018(28)191364512(10(13)2)17(23)24h49H3H212H3(H2324)(H219202228)
MFCD03569576
ZINC000003001275
ZINC3001275
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