Vitas-M small molecule compound
dimethyl 5-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK206576
SMILES COC(=O)c1cc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc(c1)C(=O)OC
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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 C22H24N2O5S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5S/c1-22(2,3)16-8-6-13(7-9-16)18(25)24-21(30)23-17-11-14(19(26)28-4)10-15(12-17)20(27)29-5/h6-12H,1-5H3,(H2,23,24,25,30)InChIKey
XGSKMKQIVOSXGG-UHFFFAOYSA-NSynonyms
5(3(4TERTBUTYLBENZOYL)THIOUREIDO)ISOPHTHALICACIDDIMETHYLESTER
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
DIMETHYL5((((4TERTBUTYLBENZOYL)AMINO)CARBOTHIOYL)AMINO)ISOPHTHALATE
DIMETHYL5((((4TERTBUTYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5((4TERTBUTYLBENZOYL)CARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC22H24N2O5Sc122(23)168613(7916)18(25)2421(30)23171114(19(26)284)1015(1217)20(27)295h612H15H3(H223242530)
MFCD03271096
ZINC000000679013
ZINC00679013
ZINC679013
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