Vitas-M small molecule compound
(2Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL050265
SMILES CCOc1cc(/C=C(/C(=O)[O-])\Sc2[nH]nc([nH+]2)C)cc(c1OC)Cl
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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 C15H16ClN3O4S MW 369.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClN3O4S/c1-4-23-11-6-9(5-10(16)13(11)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
OFWWFHFPEFFJIX-GHXNOFRVSA-NSynonyms
587012-69-9(2Z)3(3chloro5ethoxy4methoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(Z)3(3CHLORO5ETHOXY4METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
587012699
CCOC1=C(C(=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)Cl)OC
CCOc1cc(C=C(C(=O)(O))Sc2(nH)nc((nH+)2)C)cc(c1OC)Cl
InChI=1SC15H16ClN3O4Sc14231169(510(16)13(11)223)712(14(20)21)2415178(2)181915h57H4H213H3(H2021)(H171819)b127
MFCD05736024
ZINC000009327794
ZINC9327794
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