Vitas-M small molecule compound

ethyl 4-[3-(3-hydroxypropyl)-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate

Catalog ID
STK848991
SMILES OCCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(cc1)C(=O)OCC)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 C21H23N5O5 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5/c1-4-31-19(29)14-6-8-15(9-7-14)26-13(2)12-25-16-17(22-20(25)26)23(3)21(30)24(18(16)28)10-5-11-27/h6-9,12,27H,4-5,10-11H2,1-3H3
InChIKey
MCJNMNODUMKPTD-UHFFFAOYSA-N
Synonyms
896596-63-7
896596637
CCOC(=O)C1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C
ETHYL4(2(3HYDROXYPROPYL)47DIMETHYL13DIOXOPURINO(78A)IMIDAZOL6YL)BENZOATE
ethyl4(3(3hydroxypropyl)17dimethyl24dioxo1234tetrahydro8Himidazo(21f)purin8yl)benzoate
ETHYL4(3(3HYDROXYPROPYL)17DIMETHYL24DIOXO135TRIHYDRO4IMIDAZOLINO(12H)PURIN8YL)BENZOATE
ETHYL4(3(3HYDROXYPROPYL)17DIMETHYL24DIOXO34DIHYDRO1HIMIDAZO(21F)PURIN8(2H)YL)BENZOATE
InChI=1SC21H23N5O5c143119(29)146815(9714)2613(2)12251617(2220(25)26)23(3)21(30)24(18(16)28)1051127h691227H451011H213H3
MFCD06594851
ZINC000009243097
ZINC09243097
ZINC9243097

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Available files

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