Vitas-M small molecule compound

ethyl 4-[1-methyl-3-(3-methylbutyl)-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate

Catalog ID
STK583882
SMILES CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCC(C)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 C22H27N5O4 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O4/c1-5-31-20(29)15-6-8-16(9-7-15)25-12-13-26-17-18(23-21(25)26)24(4)22(30)27(19(17)28)11-10-14(2)3/h6-9,14H,5,10-13H2,1-4H3
InChIKey
BGBUYRSJSHGMGC-UHFFFAOYSA-N
Synonyms
893960-41-3
893960413
CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C
ethyl4(1methyl3(3methylbutyl)24dioxo123467hexahydro8Himidazo(21f)purin8yl)benzoate
ethyl4(3isopentyl1methyl24dioxo3467tetrahydro1Himidazo(21f)purin8(2H)yl)benzoate
ETHYL4(4METHYL2(3METHYLBUTYL)13DIOXO78DIHYDROPURINO(78A)IMIDAZOL6YL)BENZOATE
InChI=1SC22H27N5O4c153120(29)156816(9715)251213261718(2321(25)26)24(4)22(30)27(19(17)28)111014(2)3h6914H51013H214H3
MFCD06601995
ZINC000013816754
ZINC13816754

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Available files

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