Vitas-M small molecule compound
(2E)-3-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL057668
SMILES CCOc1cc(ccc1OCC#C)/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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c1-4-8-24-13-7-6-12(9-14(13)23-5-2)10-15(16(21)22)25-17-18-11(3)19-20-17/h1,6-7,9-10H,5,8H2,2-3H3,(H,21,22)(H,18,19,20)/b15-10+InChIKey
FYCYNWXCQCZKKV-XNTDXEJSSA-NSynonyms
585561-76-8(2E)3(3ethoxy4(prop2yn1yloxy)phenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(3ETHOXY4PROP2YNOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
585561768
CCOC1=C(C=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)OCC#C
CCOc1cc(ccc1OCC#C)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC17H17N3O4Sc14824137612(914(13)2352)1015(16(21)22)25171811(3)192017h167910H58H223H3(H2122)(H181920)b1510+
MFCD05731487
ZINC000002604676
ZINC2604676
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