Vitas-M small molecule compound
2-chloro-5-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK004988
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(c(c1)C(=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 C21H23ClN2O6S MW 466.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O6S/c1-4-28-16-9-12(10-17(29-5-2)18(16)30-6-3)19(25)24-21(31)23-13-7-8-15(22)14(11-13)20(26)27/h7-11H,4-6H2,1-3H3,(H,26,27)(H2,23,24,25,31)InChIKey
CCDUEHUYYRDLEF-UHFFFAOYSA-NSynonyms
434310-88-02CHLORO5((((345TRIETHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
2CHLORO5((345TRIETHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
2CHLORO5(3(345TRIETHOXYBENZOYL)THIOUREIDO)BENZOICACID
434310880
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl
InChI=1SC21H23ClN2O6Sc142816912(1017(2952)18(16)3063)19(25)2421(31)23137815(22)14(1113)20(26)27h711H46H213H3(H2627)(H223242531)
MFCD03453793
STK004988
ZINC000009432078
ZINC9432078
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