Vitas-M small molecule compound
(2Z)-3-{2-[(2-fluorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL041205
SMILES [O-]C(=O)/C(=C/c1ccccc1OCc1ccccc1F)/Sc1[nH]nc([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 C19H16FN3O3S MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16FN3O3S/c1-12-21-19(23-22-12)27-17(18(24)25)10-13-6-3-5-9-16(13)26-11-14-7-2-4-8-15(14)20/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/b17-10-InChIKey
BJVRHIOABJBIMW-YVLHZVERSA-NSynonyms
578757-12-7(O)C(=O)C(=Cc1ccccc1OCc1ccccc1F)Sc1(nH)nc((nH+)1)C
578757127
MFCD05731060
ZINC000006129898
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