Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluoro-4-methoxybenzyl)sulfanyl]quinazolin-4(3H)-one
Catalog ID
STL106789
SMILES COc1ccc(cc1F)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2
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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 C24H19FN2O4S MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19FN2O4S/c1-29-20-8-7-16(10-18(20)25)13-32-24-26-19-5-3-2-4-17(19)23(28)27(24)12-15-6-9-21-22(11-15)31-14-30-21/h2-11H,12-14H2,1H3InChIKey
XNGMRIVRTCZLMA-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2((3fluoro4methoxybenzyl)sulfanyl)quinazolin4(3H)one
3(13benzodioxol5ylmethyl)2((3fluoro4methoxyphenyl)methylsulfanyl)quinazolin4one
COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)F
InChI=1SC24H19FN2O4Sc129208716(1018(20)25)1332242619532417(19)23(28)27(24)1215692122(1115)31143021h211H1214H21H3
MFCD20738007
ZINC000067259415
ZINC67259415
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