Vitas-M small molecule compound

(2Z)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Catalog ID
STL505130
SMILES Cc1ccc(c(c1)Br)c1ccc(o1)/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 C17H14BrN3O3S MW 420.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN3O3S/c1-9-3-5-12(13(18)7-9)14-6-4-11(24-14)8-15(16(22)23)25-17-19-10(2)20-21-17/h3-8H,1-2H3,(H,22,23)(H,19,20,21)/b15-8-
InChIKey
GXTOLERPGWXBFN-NVNXTCNLSA-N
Synonyms

(~(Z))3(5(2bromo4methylphenyl)furan2yl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(5(2bromo4methylphenyl)furan2yl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(E)3(5(2bromo4methylphenyl)furan2yl)2((5methyl4H124triazol3yl)thio)acrylicacid
1874220
Cc1ccc(c(c1)Br)c1ccc(o1)C=C(C(=O)O)Sc1nnc((nH)1)C
InChI=1SC17H14BrN3O3Sc193512(13(18)79)146411(2414)815(16(22)23)25171910(2)202117h38H12H3(H2223)(H192021)b158
MFCD04574346
ZINC000033738041
ZINC33738041

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Available files

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