Vitas-M small molecule compound
6,6-dimethyl-2-(methylsulfanyl)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK217478
SMILES CSc1nc2n(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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-21(2)9-12-16(13(26)10-21)17(25-19(22-12)23-20(24-25)30-6)11-7-14(27-3)18(29-5)15(8-11)28-4/h7-8,17H,9-10H2,1-6H3,(H,22,23,24)InChIKey
SPLRCAKAMWHCJZ-UHFFFAOYSA-NSynonyms
727403-55-666dimethyl2(methylsulfanyl)9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
66dimethyl2(methylthio)9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
66dimethyl2methylsulfanyl9(345trimethoxyphenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
727403556
CC1(CC2=C(C(N3C(=N2)N=C(N3)SC)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
InChI=1SC21H26N4O4Sc121(2)91216(13(26)1021)17(2519(2212)2320(2425)306)11714(273)18(295)15(811)284h7817H910H216H3(H222324)
MFCD06193233
ZINC000018219476
ZINC000018219478
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