Vitas-M small molecule compound

ethyl 4-[1-methyl-3-(2-methylpropyl)-2,4-dioxo-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl]benzoate

Catalog ID
STK583211
SMILES CCOC(=O)c1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CC(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)15-7-9-16(10-8-15)25-11-6-12-26-17-18(23-21(25)26)24(4)22(30)27(19(17)28)13-14(2)3/h7-10,14H,5-6,11-13H2,1-4H3
InChIKey
FBNGATJTDSOERR-UHFFFAOYSA-N
Synonyms
893955-23-2
893955232
CCOC(=O)C1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(C)C
ethyl4(1methyl3(2methylpropyl)24dioxo123478hexahydropyrimido(21f)purin9(6H)yl)benzoate
ETHYL4(1METHYL3(2METHYLPROPYL)24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN9YL)BENZOATE
ethyl4(3isobutyl1methyl24dioxo123478hexahydropyrimido(21f)purin9(6H)yl)benzoate
InChI=1SC22H27N5O4c153120(29)157916(10815)2511612261718(2321(25)26)24(4)22(30)27(19(17)28)1314(2)3h71014H561113H214H3
MFCD06601419
ZINC000013816508
ZINC13816508

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Available files

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