Vitas-M small molecule compound

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

Catalog ID
STK586994
SMILES CCOC(=O)c1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)N

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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 C21H24N6O5 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O5/c1-4-32-19(30)13-5-7-14(8-6-13)25-9-12(2)10-26-16-17(23-20(25)26)24(3)21(31)27(18(16)29)11-15(22)28/h5-8,12H,4,9-11H2,1-3H3,(H2,22,28)
InChIKey
OEDAMPJEYPLEPJ-UHFFFAOYSA-N
Synonyms
893966-45-5
893966455
CCOC(=O)C1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)N)C
ethyl4(3(2amino2oxoethyl)17dimethyl24dioxo123478hexahydropyrimido(21f)purin9(6H)yl)benzoate
ETHYL4(3(2AMINO2OXOETHYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN9YL)BENZOATE
ETHYL4(3(CARBAMOYLMETHYL)17DIMETHYL24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN9YL)BENZOATE
InChI=1SC21H24N6O5c143219(30)135714(8613)25912(2)10261617(2320(25)26)24(3)21(31)27(18(16)29)1115(22)28h5812H4911H213H3(H22228)
MFCD06604337
ZINC000009123994
ZINC000009123995

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Available files

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