Vitas-M small molecule compound
3-(3-ethoxypropyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}quinazolin-4(3H)-one
Catalog ID
STL106594
SMILES CCOCCCn1c(SCc2cccc(c2)C(F)(F)F)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 C21H21F3N2O2S MW 422.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N2O2S/c1-2-28-12-6-11-26-19(27)17-9-3-4-10-18(17)25-20(26)29-14-15-7-5-8-16(13-15)21(22,23)24/h3-5,7-10,13H,2,6,11-12,14H2,1H3InChIKey
CFAXBRRHCCBDFE-UHFFFAOYSA-NSynonyms
3(3ethoxypropyl)2((3(trifluoromethyl)benzyl)sulfanyl)quinazolin4(3H)one
3(3ethoxypropyl)2((3(trifluoromethyl)phenyl)methylsulfanyl)quinazolin4one
CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)C(F)(F)F
InChI=1SC21H21F3N2O2Sc1228126112619(27)179341018(17)2520(26)29141575816(1315)21(2223)24h3571013H26111214H21H3
MFCD20737896
ZINC000067259185
ZINC67259185
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