Vitas-M small molecule compound
(2E)-3-(2-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL056169
SMILES COc1ccccc1/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 C13H13N3O3S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S/c1-8-14-13(16-15-8)20-11(12(17)18)7-9-5-3-4-6-10(9)19-2/h3-7H,1-2H3,(H,17,18)(H,14,15,16)/b11-7+InChIKey
OXATXEXWROVPOY-YRNVUSSQSA-NSynonyms
(2E)3(2methoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(2METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC=CC=C2OC)C(=O)O
COc1ccccc1C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC13H13N3O3Sc181413(16158)2011(12(17)18)79534610(9)192h37H12H3(H1718)(H141516)b117+
MFCD05725398
ZINC000009286769
ZINC9286769
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