Vitas-M small molecule compound
(2E)-3-{2-[(2-chlorobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505118
SMILES OC(=O)/C(=C\c1ccccc1OCc1ccccc1Cl)/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 C19H16ClN3O3S MW 401.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O3S/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
NHKYHONCQNDENT-LICLKQGHSA-NSynonyms
(~(E))3(2((2chlorophenyl)methoxy)phenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2E)3(2((2chlorobenzyl)oxy)phenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
129892974
InChI=1SC19H16ClN3O3Sc1122119(232212)2717(18(24)25)1013635916(13)261114724815(14)20h210H11H21H3(H2425)(H212223)b1710+
MFCD31537891
ZINC000828424041
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