Vitas-M small molecule compound

(4-{(E)-[(3-carboxypropyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen phosphate

Catalog ID
STL581483
SMILES OC(=O)CCC/N=C/c1c(cnc(c1O)C)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 C12H16N2O7P MW 331.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5-6,17H,2-4,7H2,1H3,(H,15,16)(H2,18,19,20)/p-1/b13-6+
InChIKey
SIJAQASGWDIPNC-AWNIVKPZSA-M
Synonyms

(4((E)((3carboxypropyl)imino)methyl)5hydroxy6methylpyridin3yl)methylhydrogenphosphate
InChI=1SC12H17N2O7Pc1812(17)10(61342311(15)16)9(5148)72122(1819)20h5617H247H21H3(H1516)(H2181920)p1b136+
OC(=O)CCCN=Cc1c(cnc(c1O)C)COP(=O)(O)(O)(K+)
potassium(E)(4(((3carboxypropyl)imino)methyl)5hydroxy6methylpyridin3yl)methylhydrogenphosphate

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Available files

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