Vitas-M small molecule compound
(2Z)-3-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505122
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C(/C(=O)O)\Sc1nnc([nH]1)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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-3-28-18-10-15(11-19(20(26)27)30-21-23-13(2)24-25-21)6-9-17(18)29-12-14-4-7-16(22)8-5-14/h4-11H,3,12H2,1-2H3,(H,26,27)(H,23,24,25)/b19-11-InChIKey
NKJRDVSRZGKZGI-ODLFYWEKSA-NSynonyms
(~(Z))3(4((4chlorophenyl)methoxy)3ethoxyphenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(4((4chlorobenzyl)oxy)3ethoxyphenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
126195473
InChI=1SC21H20ClN3O4Sc1328181015(1119(20(26)27)30212313(2)242521)6917(18)2912144716(22)8514h411H312H212H3(H2627)(H232425)b1911
MFCD04545384
ZINC000409189233
ZINC409189233
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