Vitas-M small molecule compound
(2Z)-3-(5-bromo-2-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505131
SMILES COc1ccc(cc1/C=C(/C(=O)O)\Sc1nnc([nH]1)C)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 C13H12BrN3O3S MW 370.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3O3S/c1-7-15-13(17-16-7)21-11(12(18)19)6-8-5-9(14)3-4-10(8)20-2/h3-6H,1-2H3,(H,18,19)(H,15,16,17)/b11-6-InChIKey
XHXWWQMJGIUOCU-WDZFZDKYSA-NSynonyms
(~(Z))3(5bromo2methoxyphenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(5bromo2methoxyphenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(E)3(5bromo2methoxyphenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
1628643
COc1ccc(cc1C=C(C(=O)O)Sc1nnc((nH)1)C)Br
InChI=1SC13H12BrN3O3Sc171513(17167)2111(12(18)19)6859(14)3410(8)202h36H12H3(H1819)(H151617)b116
MFCD04560536
ZINC000033331419
ZINC33331419
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