Vitas-M small molecule compound

2-amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-1,9-dihydro-6H-purin-6-one

Catalog ID
STK804419
SMILES CC(=O)OC1C(OC(=O)C)C(OC1n1cnc2c1nc(N)[nH]c2=O)COC(=O)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 C16H19N5O8 MW 409.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(21)19-16(17)20-14(10)25/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,25)
InChIKey
ULXDFYDZZFYGIY-UHFFFAOYSA-N
Synonyms
27460-40-8
(2R3R4R5R)2(acetoxymethyl)5(2amino6oxo1Hpurin9(6H)yl)tetrahydrofuran34diyldiacetate
2amino9(235triOacetylpentofuranosyl)19dihydro6Hpurin6one
CC(=O)O(C@@H)1(C@H)(OC(=O)C)(C@H)(O(C@H)1n1cnc2c1nc(N)(nH)c2=O)COC(=O)C
CC(=O)OC1C(OC(=O)C)C(OC1n1cnc2c1nc(N)(nH)c2=O)COC(=O)C
CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C)OC(=O)C
InChI=1SC16H19N5O8c16(22)264911(277(2)23)12(288(3)24)15(299)215181013(21)1916(17)2014(10)25h59111215H4H213H3(H317192025)
MFCD00548455
ZINC000001693856

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Available files

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