Vitas-M small molecule compound
(2Z)-3-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505140
SMILES C#CCOc1ccc(cc1OC)/C=C(/C(=O)O)\Sc1nnc([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 C16H15N3O4S MW 345.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O4S/c1-4-7-23-12-6-5-11(8-13(12)22-3)9-14(15(20)21)24-16-17-10(2)18-19-16/h1,5-6,8-9H,7H2,2-3H3,(H,20,21)(H,17,18,19)/b14-9-InChIKey
OADLIDPYXNLJKR-ZROIWOOFSA-NSynonyms
741297-19-8(~(Z))3(3methoxy4prop2ynoxyphenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(3methoxy4(prop2yn1yloxy)phenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)3(3methoxy4(prop2yn1yloxy)phenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
1569579
741297198
C#CCOc1ccc(cc1OC)C=C(C(=O)O)Sc1nnc((nH)1)C
MFCD04007871
ZINC000005100243
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