Vitas-M small molecule compound
2-(ethylsulfanyl)-6,6-dimethyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK217485
SMILES CCSc1nc2n(n1)C(C1=C(N2)CC(CC1=O)(C)C)c1cc(OC)c(cc1OC)OC
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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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c1-7-31-21-24-20-23-13-10-22(2,3)11-14(27)18(13)19(26(20)25-21)12-8-16(29-5)17(30-6)9-15(12)28-4/h8-9,19H,7,10-11H2,1-6H3,(H,23,24,25)InChIKey
YUFRYGGZSIVOAX-UHFFFAOYSA-NSynonyms
727404-04-82(ethylsulfanyl)66dimethyl9(245trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(ethylthio)66dimethyl9(245trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2ethylsulfanyl66dimethyl9(245trimethoxyphenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
727404048
CCSC1=NC2=NC3=C(C(N2N1)C4=CC(=C(C=C4OC)OC)OC)C(=O)CC(C3)(C)C
InChI=1SC22H28N4O4Sc173121242023131022(23)1114(27)18(13)19(26(20)2521)12816(295)17(306)915(12)284h8919H71011H216H3(H232425)
MFCD06193282
ZINC000006631618
ZINC000006631620
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