Vitas-M small molecule compound
2-[(4-tert-butylbenzyl)sulfanyl]-3-(4-chlorobenzyl)quinazolin-4(3H)-one
Catalog ID
STL106910
SMILES Clc1ccc(cc1)Cn1c(SCc2ccc(cc2)C(C)(C)C)nc2c(c1=O)cccc2
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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 C26H25ClN2OS MW 449.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2OS/c1-26(2,3)20-12-8-19(9-13-20)17-31-25-28-23-7-5-4-6-22(23)24(30)29(25)16-18-10-14-21(27)15-11-18/h4-15H,16-17H2,1-3H3InChIKey
HAHHDYJYGVIFGX-UHFFFAOYSA-NSynonyms
2((4tertbutylbenzyl)sulfanyl)3(4chlorobenzyl)quinazolin4(3H)one
2((4tertbutylphenyl)methylsulfanyl)3((4chlorophenyl)methyl)quinazolin4one
CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl
InChI=1SC26H25ClN2OSc126(23)2012819(91320)1731252823754622(23)24(30)29(25)1618101421(27)151118h415H1617H213H3
MFCD05386607
ZINC000067259568
ZINC67259568
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