Vitas-M small molecule compound
(2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL041518
SMILES COc1cc(ccc1OCc1ccccc1)/C=C(/C(=O)[O-])\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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-13-21-20(23-22-13)28-18(19(24)25)11-15-8-9-16(17(10-15)26-2)27-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,24,25)(H,21,22,23)/b18-11-InChIKey
AZLYXVZZBAUHND-WQRHYEAKSA-NSynonyms
578746-16-4578746164
COc1cc(ccc1OCc1ccccc1)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
MFCD05738747
ZINC000009329380
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