Vitas-M small molecule compound
ethyl 4-[3-(2-methoxyethyl)-1,7-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl]benzoate
Catalog ID
STK851528
SMILES COCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)C(=O)OCC
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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 C22H27N5O5 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O5/c1-5-32-20(29)15-6-8-16(9-7-15)26-12-14(2)13-27-17-18(23-21(26)27)24(3)22(30)25(19(17)28)10-11-31-4/h6-9,14H,5,10-13H2,1-4H3InChIKey
QMHZQRLPVCIKGT-UHFFFAOYSA-NSynonyms
893966-17-1893966171
CCOC(=O)C1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCOC)C
ethyl4(3(2methoxyethyl)17dimethyl24dioxo123478hexahydropyrimido(21f)purin9(6H)yl)benzoate
ETHYL4(3(2METHOXYETHYL)17DIMETHYL24DIOXO135TRIHYDRO6H7H8H13DIAZAPERHYDROINO(12H)PURIN9YL)BENZOATE
ETHYL4(3(2METHOXYETHYL)17DIMETHYL24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN9YL)BENZOATE
InChI=1SC22H27N5O5c153220(29)156816(9715)261214(2)13271718(2321(26)27)24(3)22(30)25(19(17)28)1011314h6914H51013H214H3
MFCD06607837
ZINC000008724517
ZINC000008724518
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