Vitas-M small molecule compound
2-[(4-tert-butylbenzyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
Catalog ID
STL106965
SMILES CCOc1ccc(cc1)n1c(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/c1-5-31-22-16-14-21(15-17-22)29-25(30)23-8-6-7-9-24(23)28-26(29)32-18-19-10-12-20(13-11-19)27(2,3)4/h6-17H,5,18H2,1-4H3InChIKey
FKSHSUGPONDZTP-UHFFFAOYSA-NSynonyms
2((4tertbutylbenzyl)sulfanyl)3(4ethoxyphenyl)quinazolin4(3H)one
2((4tertbutylphenyl)methylsulfanyl)3(4ethoxyphenyl)quinazolin4one
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H28N2O2Sc153122161421(151722)2925(30)23867924(23)2826(29)321819101220(131119)27(23)4h617H518H214H3
MFCD03474374
ZINC000067259625
ZINC67259625
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