Vitas-M small molecule compound
3-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methoxybenzoic acid
Catalog ID
STK109216
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1OC)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 C18H17N3O7S MW 419.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O7S/c1-3-28-15-7-4-10(9-13(15)21(25)26)16(22)20-18(29)19-12-8-11(17(23)24)5-6-14(12)27-2/h4-9H,3H2,1-2H3,(H,23,24)(H2,19,20,22,29)InChIKey
JMLLQFGWQQEBKI-UHFFFAOYSA-NSynonyms
3((((4ETHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)4METHOXYBENZOICACID
3((4ETHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)4METHOXYBENZOICACID
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1OC)C(=O)O
InChI=1SC18H17N3O7Sc1328157410(913(15)21(25)26)16(22)2018(29)1912811(17(23)24)5614(12)272h49H3H212H3(H2324)(H219202229)
MFCD03567877
ZINC000003461084
ZINC3461084
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