Vitas-M small molecule compound
(2Z)-3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505132
SMILES COc1cc(/C=C(/C(=O)O)\Sc2nnc([nH]2)C)cc(c1OCc1ccccc1F)Br
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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 C20H17BrFN3O4S MW 494.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrFN3O4S/c1-11-23-20(25-24-11)30-17(19(26)27)9-12-7-14(21)18(16(8-12)28-2)29-10-13-5-3-4-6-15(13)22/h3-9H,10H2,1-2H3,(H,26,27)(H,23,24,25)/b17-9-InChIKey
CBZMNZHZBFCOFT-MFOYZWKCSA-NSynonyms
760962-26-3(~(Z))3(3bromo4((2fluorophenyl)methoxy)5methoxyphenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(3bromo4((2fluorobenzyl)oxy)5methoxyphenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)3(3bromo4((2fluorobenzyl)oxy)5methoxyphenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
2018958
760962263
COc1cc(C=C(C(=O)O)Sc2nnc((nH)2)C)cc(c1OCc1ccccc1F)Br
MFCD04014880
ZINC000009350807
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