Vitas-M small molecule compound
(2Z)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STK699491
SMILES CCOc1cc(/C=C(/C(=O)O)\Sc2nnc([nH]2)C)cc(c1OC)Br
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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/c1-4-23-11-6-9(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
IAVVBHDLIRGDDR-GHXNOFRVSA-NSynonyms
(2Z)3(3bromo5ethoxy4methoxyphenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(E)3(3bromo5ethoxy4methoxyphenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
(Z)3(3BROMO5ETHOXY4METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CCOC1=C(C(=CC(=C1)C=C(C(=O)O)SC2=NNC(=N2)C)Br)OC
CCOc1cc(C=C(C(=O)O)Sc2nnc((nH)2)C)cc(c1OC)Br
InChI=1SC15H16BrN3O4Sc14231169(510(16)13(11)223)712(14(20)21)2415178(2)181915h57H4H213H3(H2021)(H171819)b127
MFCD04506978
ZINC000005899803
ZINC5899803
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