Vitas-M small molecule compound

9-(4-ethylphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK217443
SMILES CCc1ccc(cc1)C1C2=C(CCCC2=O)Nc2n1nc(n2)SC

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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 C18H20N4OS MW 340.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4OS/c1-3-11-7-9-12(10-8-11)16-15-13(5-4-6-14(15)23)19-17-20-18(24-2)21-22(16)17/h7-10,16H,3-6H2,1-2H3,(H,19,20,21)
InChIKey
XUYVBPJHGOPBIR-UHFFFAOYSA-N
Synonyms
727395-15-5
727395155
9(4ethylphenyl)2(methylsulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4ethylphenyl)2(methylthio)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4ethylphenyl)2methylsulfanyl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
CCC1=CC=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SC
InChI=1SC18H20N4OSc13117912(10811)161513(54614(15)23)19172018(242)2122(16)17h71016H36H212H3(H192021)
MFCD06192993
ZINC000004436064
ZINC000004436066
ZINC04436064

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.