Vitas-M small molecule compound
8-cyclohexyl-1,3-dimethyl-7-(4-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Catalog ID
STL049205
SMILES [O-][N+](=O)c1ccc(cc1)c1cn2c(n1C1CCCCC1)nc1c2c(=O)n(C)c(=O)n1C
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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 C21H22N6O4 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4/c1-23-18-17(19(28)24(2)21(23)29)25-12-16(13-8-10-15(11-9-13)27(30)31)26(20(25)22-18)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3InChIKey
BUGNAQBTRJTJDM-UHFFFAOYSA-NSynonyms
714244-79-86CYCLOHEXYL24DIMETHYL7(4NITROPHENYL)PURINO(78A)IMIDAZOLE13DIONE
714244798
8cyclohexyl13dimethyl7(4nitrophenyl)1Himidazo(21f)purine24(3H8H)dione
CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4CCCCC4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H22N6O4c1231817(19(28)24(2)21(23)29)251216(1381015(11913)27(30)31)26(20(25)2218)146435714h81214H37H212H3
MFCD04177866
ZINC000013776195
ZINC13776195
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