Vitas-M small molecule compound
(2Z)-3-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STK727946
SMILES C#CCOc1ccc(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 C15H12BrN3O3S MW 394.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrN3O3S/c1-3-6-22-12-5-4-11(16)7-10(12)8-13(14(20)21)23-15-17-9(2)18-19-15/h1,4-5,7-8H,6H2,2H3,(H,20,21)(H,17,18,19)/b13-8-InChIKey
GBVAIUVXPTUCQE-JYRVWZFOSA-NSynonyms
573707-49-0(2Z)3(5bromo2(prop2yn1yloxy)phenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)3(5bromo2(prop2yn1yloxy)phenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
(Z)3(5BROMO2PROP2YNOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
573707490
C#CCOc1ccc(cc1C=C(C(=O)O)Sc1nnc((nH)1)C)Br
CC1=NC(=NN1)SC(=CC2=C(C=CC(=C2)Br)OCC#C)C(=O)O
InChI=1SC15H12BrN3O3Sc13622125411(16)710(12)813(14(20)21)2315179(2)181915h14578H6H22H3(H2021)(H171819)b138
MFCD04018192
ZINC000006130406
ZINC6130406
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