Vitas-M small molecule compound
5-[2-(3-butoxyphenyl)quinolin-4-yl]-4-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK435214
SMILES CCCCOc1cccc(c1)c1nc2ccccc2c(c1)c1nnc(n1C)S
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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 C22H22N4OS MW 390.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4OS/c1-3-4-12-27-16-9-7-8-15(13-16)20-14-18(21-24-25-22(28)26(21)2)17-10-5-6-11-19(17)23-20/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,28)InChIKey
CIEONFASLGGETL-UHFFFAOYSA-NSynonyms
3(2(3BUTOXYPHENYL)QUINOLIN4YL)4METHYL1H124TRIAZOLE5THIONE
5(2(3BUTOXYPHENYL)(4QUINOLYL))4METHYL124TRIAZOLE3THIOL
5(2(3butoxyphenyl)quinolin4yl)4methyl4H124triazole3thiol
CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C
InChI=1SC22H22N4OSc13412271697815(1316)201418(21242522(28)26(21)2)1710561119(17)2320h5111314H3412H212H3(H2528)
MFCD03943436
ZINC000017079748
ZINC17079748
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