Vitas-M small molecule compound

4-amino-1-(5-O-phosphonatopentofuranosyl)pyrimidin-2(1H)-one

Catalog ID
STK035954
SMILES OC1C(O)C(OC1n1ccc(nc1=O)N)COP(=O)([O-])[O-]

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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 C9H12N3O8P MW 321.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2
InChIKey
IERHLVCPSMICTF-UHFFFAOYSA-L
Synonyms

(5(4AMINO2OXOPYRIMIDIN1YL)34DIHYDROXYOXOLAN2YL)METHYLPHOSPHATE
4AMINO1(5OPHOSPHONATOPENTOFURANOSYL)PYRIMIDIN2(1H)ONE
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)((O))(O))O)O
DISODIUM(5(4AMINO2OXO1PYRIMIDINYL)34DIHYDROXY2OXOLANYL)METHYLDIHYDROGENPHOSPHATE
InChI=1SC9H14N3O8Pc1051212(9(15)115)87(14)6(13)4(208)31921(1617)18h124681314H3H2(H2101115)(H2161718)p2
O(C@@H)1(C@H)(O)(C@H)(O(C@H)1n1ccc(nc1=O)N)COP(=O)((O))(O)(Na+)(Na+)
OC1C(O)C(OC1n1ccc(nc1=O)N)COP(=O)((O))(O)
sodium((2R3S4R5R)5(4amino2oxopyrimidin1(2H)yl)34dihydroxytetrahydrofuran2yl)methylphosphate
STK035954
ZINC000001785780
ZINC000016546001

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.