Vitas-M small molecule compound
9-(1,3-benzodioxol-5-yl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK333551
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc3c(c1)OCO3)n1c(N2)ncn1
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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 C18H18N4O3 MW 338.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3/c1-18(2)6-11-15(12(23)7-18)16(22-17(21-11)19-8-20-22)10-3-4-13-14(5-10)25-9-24-13/h3-5,8,16H,6-7,9H2,1-2H3,(H,19,20,21)InChIKey
OFMJDTCXKDZNFE-UHFFFAOYSA-NSynonyms
9(13benzodioxol5yl)66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
9(13benzodioxol5yl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
CC1(CC2=C(C(N3C(=N2)N=CN3)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC18H18N4O3c118(2)61115(12(23)718)16(2217(2111)1982022)10341314(510)2592413h35816H679H212H3(H192021)
MFCD09963138
ZINC000015083405
ZINC000015083407
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