Vitas-M small molecule compound
5-[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-4-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK434516
SMILES CCn1c(S)nnc1c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)C(C)(C)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 C23H23BrN4S MW 467.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN4S/c1-5-28-21(26-27-22(28)29)18-13-20(25-19-11-10-16(24)12-17(18)19)14-6-8-15(9-7-14)23(2,3)4/h6-13H,5H2,1-4H3,(H,27,29)InChIKey
ZMGCJRIPTHJBQO-UHFFFAOYSA-NSynonyms
3(6BROMO2(4TERTBUTYLPHENYL)QUINOLIN4YL)4ETHYL1H124TRIAZOLE5THIONE
5(2(4(TERTBUTYL)PHENYL)6BROMO(4QUINOLYL))4ETHYL124TRIAZOLE3THIOL
5(6bromo2(4tertbutylphenyl)quinolin4yl)4ethyl4H124triazole3thiol
CCN1C(=NNC1=S)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC23H23BrN4Sc152821(262722(28)29)181320(2519111016(24)1217(18)19)146815(9714)23(23)4h613H5H214H3(H2729)
MFCD03942567
ZINC000020214105
ZINC20214105
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