Vitas-M small molecule compound
4-({[(3,4,5-triethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK102495
SMILES CCOc1cc(cc(c1OCC)OCC)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 C21H24N2O6S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O6S/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)19(24)23-21(30)22-15-9-7-13(8-10-15)20(25)26/h7-12H,4-6H2,1-3H3,(H,25,26)(H2,22,23,24,30)InChIKey
NXDOGKSUAMVSOW-UHFFFAOYSA-NSynonyms
434288-95-64((((345TRIETHOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4((345TRIETHOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
4(3(345triethoxybenzoyl)thioureido)benzoicacid
434288956
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O
InChI=1SC21H24N2O6Sc1427161114(1217(2852)18(16)2963)19(24)2321(30)22159713(81015)20(25)26h712H46H213H3(H2526)(H222232430)
MFCD03574506
ZINC000001160503
ZINC1160503
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