Vitas-M small molecule compound
2-(ethylsulfanyl)-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK250471
SMILES CCSc1nc2n(n1)C(c1cc(OC)c(c(c1)OC)OC)C1=C(N2)CC(CC1=O)(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 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)17(13)18(26(20)25-21)12-8-15(28-4)19(30-6)16(9-12)29-5/h8-9,18H,7,10-11H2,1-6H3,(H,23,24,25)InChIKey
XAWMLCWWYLIGHN-UHFFFAOYSA-NSynonyms
727404-05-92(ethylsulfanyl)66dimethyl9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(ethylthio)66dimethyl9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2ethylsulfanyl66dimethyl9(345trimethoxyphenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
727404059
CCSC1=NC2=NC3=C(C(N2N1)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)CC(C3)(C)C
InChI=1SC22H28N4O4Sc173121242023131022(23)1114(27)17(13)18(26(20)2521)12815(284)19(306)16(912)295h8918H71011H216H3(H232425)
MFCD06193283
ZINC000009236584
ZINC000009236586
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