Vitas-M small molecule compound
8-(5-chloro-2-methylphenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Catalog ID
STK852102
SMILES OCCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1cc(Cl)ccc1C
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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 C20H22ClN5O3 MW 415.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN5O3/c1-11-6-7-14(21)10-15(11)25-12(2)13(3)26-16-17(22-19(25)26)23(4)20(29)24(18(16)28)8-5-9-27/h6-7,10,27H,5,8-9H2,1-4H3InChIKey
HKANSTVPTAZRII-UHFFFAOYSA-NSynonyms
896075-43-76(5CHLORO2METHYLPHENYL)2(3HYDROXYPROPYL)478TRIMETHYLPURINO(78A)IMIDAZOLE13DIONE
8(5CHLORO2METHYLPHENYL)3(3HYDROXYPROPYL)167TRIMETHYL135TRIHYDRO4IMIDAZOLINO(12H)PURINE24DIONE
8(5chloro2methylphenyl)3(3hydroxypropyl)167trimethyl1Himidazo(21f)purine24(3H8H)dione
896075437
CC1=C(C=C(C=C1)Cl)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C)C
InChI=1SC20H22ClN5O3c1116714(21)1015(11)2512(2)13(3)261617(2219(25)26)23(4)20(29)24(18(16)28)85927h671027H589H214H3
MFCD06592541
ZINC000012373979
ZINC12373979
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