Vitas-M small molecule compound

3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylbenzyl)sulfanyl]quinazolin-4(3H)-one

Catalog ID
STL106772
SMILES O=c1c2ccccc2nc(n1Cc1ccc2c(c1)OCO2)SCc1ccc(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 C27H26N2O3S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S/c1-27(2,3)20-11-8-18(9-12-20)16-33-26-28-22-7-5-4-6-21(22)25(30)29(26)15-19-10-13-23-24(14-19)32-17-31-23/h4-14H,15-17H2,1-3H3
InChIKey
MUULEKKRLKPXAB-UHFFFAOYSA-N
Synonyms

3(13benzodioxol5ylmethyl)2((4tertbutylbenzyl)sulfanyl)quinazolin4(3H)one
3(13benzodioxol5ylmethyl)2((4tertbutylphenyl)methylsulfanyl)quinazolin4one
CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5
InChI=1SC27H26N2O3Sc127(23)2011818(91220)1633262822754621(22)25(30)29(26)151910132324(1419)32173123h414H1517H213H3
MFCD20737996
ZINC000067259395
ZINC67259395

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Available files

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