Vitas-M small molecule compound
4-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK105116
SMILES CCOc1ccc(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 C17H15N3O6S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O6S/c1-2-26-14-8-5-11(9-13(14)20(24)25)15(21)19-17(27)18-12-6-3-10(4-7-12)16(22)23/h3-9H,2H2,1H3,(H,22,23)(H2,18,19,21,27)InChIKey
AYCKKUHZJYMHEO-UHFFFAOYSA-NSynonyms
434304-59-34((((4ETHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4((4ETHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
434304593
BENZOICACID4((((4ETHOXY3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(cc1)C(=O)O
InChI=1SC17H15N3O6Sc1226148511(913(14)20(24)25)15(21)1917(27)18126310(4712)16(22)23h39H2H21H3(H2223)(H218192127)
MFCD03564621
ZINC000003000708
ZINC3000708
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