Vitas-M small molecule compound
3-(4-chlorophenyl)-8-hydroxy-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6-one
Catalog ID
STL160386
SMILES CC(CCn1c2nnc(n2c2c1c(O)nc(=O)n2C)c1ccc(cc1)Cl)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 C18H19ClN6O2 MW 386.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN6O2/c1-10(2)8-9-24-13-15(26)20-18(27)23(3)16(13)25-14(21-22-17(24)25)11-4-6-12(19)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,20,26,27)InChIKey
XJQPVYNDBIWLLN-UHFFFAOYSA-NSynonyms
921576-48-93(4chlorophenyl)8hydroxy5methyl9(3methylbutyl)59dihydro6H(124)triazolo(43e)purin6one
8(4chlorophenyl)1methyl5(3methylbutyl)purino(89c)(124)triazole24dione
921576489
CC(C)CCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=C(C=C4)Cl
InChI=1SC18H19ClN6O2c110(2)89241315(26)2018(27)23(3)16(13)2514(212217(24)25)114612(19)7511h4710H89H213H3(H202627)
MFCD20759010
ZINC000010964416
ZINC10964416
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