Vitas-M small molecule compound
(2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL041396
SMILES CCOc1c(Br)cc(cc1OC)/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 C15H16BrN3O4S MW 414.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16BrN3O4S/c1-4-23-13-10(16)5-9(6-11(13)22-3)7-12(14(20)21)24-15-17-8(2)18-19-15/h5-7H,4H2,1-3H3,(H,20,21)(H,17,18,19)/b12-7+InChIKey
WMNJORJOHRILRM-KPKJPENVSA-NSynonyms
679810-64-1(2E)3(3bromo4ethoxy5methoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(3BROMO4ETHOXY5METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
679810641
CCOC1=C(C=C(C=C1Br)C=C(C(=O)O)SC2=NNC(=N2)C)OC
CCOc1c(Br)cc(cc1OC)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC15H16BrN3O4Sc14231310(16)59(611(13)223)712(14(20)21)2415178(2)181915h57H4H213H3(H2021)(H171819)b127+
MFCD05729749
ZINC000009360669
ZINC9360669
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