Vitas-M small molecule compound
ethyl 4-[({5-chloro-2-[(4-methylbenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)amino]benzoate
Catalog ID
STK912071
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1nc(ncc1Cl)SCc1ccc(cc1)C
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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 C22H20ClN3O3S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3S/c1-3-29-21(28)16-8-10-17(11-9-16)25-20(27)19-18(23)12-24-22(26-19)30-13-15-6-4-14(2)5-7-15/h4-12H,3,13H2,1-2H3,(H,25,27)InChIKey
ACIRSAWPUREQOJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)C
ethyl4(((5chloro2((4methylbenzyl)sulfanyl)pyrimidin4yl)carbonyl)amino)benzoate
ethyl4((5chloro2((4methylphenyl)methylsulfanyl)pyrimidine4carbonyl)amino)benzoate
InChI=1SC22H20ClN3O3Sc132921(28)1681017(11916)2520(27)1918(23)122422(2619)3013156414(2)5715h412H313H212H3(H2527)
MFCD07426988
ZINC000008916685
ZINC08916685
ZINC8916685
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