Vitas-M small molecule compound
3-[4-(2-bromo-4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4(1H)-one
Catalog ID
STK775159
SMILES CCn1cc(c2nnc(n2c2ccc(cc2Br)C)S)c(=O)c2c1nc(C)cc2
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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 C20H18BrN5OS MW 456.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5OS/c1-4-25-10-14(17(27)13-7-6-12(3)22-18(13)25)19-23-24-20(28)26(19)16-8-5-11(2)9-15(16)21/h5-10H,4H2,1-3H3,(H,24,28)InChIKey
APLAOLLDZZVNEY-UHFFFAOYSA-NSynonyms
696624-17-63(4(2BROMO4METHYLPHENYL)5MERCAPTO4H(124)TRIAZOL3YL)1ETHYL7METHYL1H(18)NAPHTHYRIDIN4ONE
3(4(2bromo4methylphenyl)5mercapto4H124triazol3yl)1ethyl7methyl18naphthyridin4(1H)one
3(4(2BROMO4METHYLPHENYL)5SULFANYL4H124TRIAZOL3YL)1ETHYL7METHYL18NAPHTHYRIDIN4(1H)ONE
3(4(2BROMO4METHYLPHENYL)5SULFANYLIDENE1H124TRIAZOL3YL)1ETHYL7METHYL18NAPHTHYRIDIN4ONE
696624176
CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C3=NNC(=S)N3C4=C(C=C(C=C4)C)Br
InChI=1SC20H18BrN5OSc14251014(17(27)137612(3)2218(13)25)19232420(28)26(19)168511(2)915(16)21h510H4H213H3(H2428)
MFCD03670429
ZINC000009087626
ZINC9087626
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