Vitas-M small molecule compound
2-{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
Catalog ID
STK804247
SMILES COCCn1c(C)cc(c1C)C(=O)CSc1nnc(n1CC)c1ccccc1O
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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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-5-24-20(16-8-6-7-9-18(16)26)22-23-21(24)29-13-19(27)17-12-14(2)25(15(17)3)10-11-28-4/h6-9,12,26H,5,10-11,13H2,1-4H3InChIKey
NQBWRVMSPWEPRI-UHFFFAOYSA-NSynonyms
925080-09-72((4ethyl5(2hydroxyphenyl)4H124triazol3yl)sulfanyl)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
2((4ethyl5(2hydroxyphenyl)4H124triazol3yl)thio)1(1(2methoxyethyl)25dimethyl1Hpyrrol3yl)ethanone
925080097
MFCD09156315
ZINC000009576104
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