Vitas-M small molecule compound
2-[(4-tert-butylbenzyl)sulfanyl]-3-(3-methoxybenzyl)quinazolin-4(3H)-one
Catalog ID
STL106341
SMILES COc1cccc(c1)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 C27H28N2O2S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S/c1-27(2,3)21-14-12-19(13-15-21)18-32-26-28-24-11-6-5-10-23(24)25(30)29(26)17-20-8-7-9-22(16-20)31-4/h5-16H,17-18H2,1-4H3InChIKey
VCMRQIAYZNRNMB-UHFFFAOYSA-NSynonyms
2((4tertbutylbenzyl)sulfanyl)3(3methoxybenzyl)quinazolin4(3H)one
2((4tertbutylphenyl)methylsulfanyl)3((3methoxyphenyl)methyl)quinazolin4one
CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)OC
InChI=1SC27H28N2O2Sc127(23)21141219(131521)183226282411651023(24)25(30)29(26)172087922(1620)314h516H1718H214H3
MFCD20737685
ZINC000067258763
ZINC67258763
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