Vitas-M small molecule compound
(2E)-3-(4-ethoxy-3-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL054501
SMILES CCOc1ccc(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 C15H17N3O4S MW 335.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O4S/c1-4-22-11-6-5-10(7-12(11)21-3)8-13(14(19)20)23-15-16-9(2)17-18-15/h5-8H,4H2,1-3H3,(H,19,20)(H,16,17,18)/b13-8+InChIKey
WDHAOEKSJDIJCZ-MDWZMJQESA-NSynonyms
(2E)3(4ethoxy3methoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(4ETHOXY3METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CCOC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NNC(=N2)C)OC
CCOc1ccc(cc1OC)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC15H17N3O4Sc1422116510(712(11)213)813(14(19)20)2315169(2)171815h58H4H213H3(H1920)(H161718)b138+
MFCD05725775
ZINC000017206645
ZINC17206645
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