Vitas-M small molecule compound

ethyl (8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate

Catalog ID
STK581833
SMILES CCOC(=O)Cn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)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 C22H27FN6O4 MW 458.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27FN6O4/c1-4-33-18(30)14-29-17(24-20-19(29)21(31)26(3)22(32)25(20)2)13-27-9-11-28(12-10-27)16-7-5-15(23)6-8-16/h5-8H,4,9-14H2,1-3H3
InChIKey
BDCIGFRACPKQDW-UHFFFAOYSA-N
Synonyms
851940-57-3
851940573
CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F
ethyl(8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetate
ethyl2(8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)acetate
ETHYL2(8((4(4FLUOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL26DIOXOPURIN7YL)ACETATE
ETHYL2(8((4(4FLUOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN7YL)ACETATE
InChI=1SC22H27FN6O4c143318(30)142917(242019(29)21(31)26(3)22(32)25(20)2)132791128(121027)167515(23)6816h58H4914H213H3
MFCD04466535
ZINC000057010917
ZINC57010917

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Available files

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