Vitas-M small molecule compound
ethyl 4-[({5-chloro-2-[(4-fluorobenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)amino]benzoate
Catalog ID
STK911698
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1nc(ncc1Cl)SCc1ccc(cc1)F
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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 C21H17ClFN3O3S MW 445.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClFN3O3S/c1-2-29-20(28)14-5-9-16(10-6-14)25-19(27)18-17(22)11-24-21(26-18)30-12-13-3-7-15(23)8-4-13/h3-11H,2,12H2,1H3,(H,25,27)InChIKey
AGZRBECVZPHAMX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F
ethyl4(((5chloro2((4fluorobenzyl)sulfanyl)pyrimidin4yl)carbonyl)amino)benzoate
ethyl4((5chloro2((4fluorophenyl)methylsulfanyl)pyrimidine4carbonyl)amino)benzoate
InChI=1SC21H17ClFN3O3Sc122920(28)145916(10614)2519(27)1817(22)112421(2618)3012133715(23)8413h311H212H21H3(H2527)
MFCD07426628
ZINC000008613844
ZINC08613844
ZINC8613844
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