Vitas-M small molecule compound
5-chloro-2-({[(3-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK106063
SMILES CCOc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1C(=O)O)Cl
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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 C17H15ClN2O4S MW 378.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN2O4S/c1-2-24-12-5-3-4-10(8-12)15(21)20-17(25)19-14-7-6-11(18)9-13(14)16(22)23/h3-9H,2H2,1H3,(H,22,23)(H2,19,20,21,25)InChIKey
DJLUTUWHBHBNFC-UHFFFAOYSA-NSynonyms
5CHLORO2((((3ETHOXYBENZOYL)AMINO)CARBONOTHIOYL)AMINO)BENZOICACID
5CHLORO2((((3ETHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
5CHLORO2((3ETHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O
InChI=1SC17H15ClN2O4Sc12241253410(812)15(21)2017(25)19147611(18)913(14)16(22)23h39H2H21H3(H2223)(H219202125)
MFCD03566272
ZINC000004680069
ZINC4680069
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