Vitas-M small molecule compound
4-methyl-3-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK101412
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1cc(ccc1C)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 C22H26N2O6S MW 446.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O6S/c1-5-28-17-11-15(12-18(29-6-2)19(17)30-7-3)20(25)24-22(31)23-16-10-14(21(26)27)9-8-13(16)4/h8-12H,5-7H2,1-4H3,(H,26,27)(H2,23,24,25,31)InChIKey
RPMVRUBZWMBFSS-UHFFFAOYSA-NSynonyms
4METHYL3((((345TRIETHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHYL3(((345TRIETHOXYBENZOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHYL3((345TRIETHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C
InChI=1SC22H26N2O6Sc1528171115(1218(2962)19(17)3073)20(25)2422(31)23161014(21(26)27)9813(16)4h812H57H214H3(H2627)(H223242531)
MFCD03243410
ZINC000001156339
ZINC1156339
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