Vitas-M small molecule compound

9-[1-(2-fluoro-4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-3,9-dihydro-1H-purine-2,6-dione

Catalog ID
STK963888
SMILES COc1ccc(c(c1)F)C(=O)C(n1cnc2c1n(C)c(=O)[nH]c2=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 C16H15FN4O4 MW 346.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15FN4O4/c1-8(13(22)10-5-4-9(25-3)6-11(10)17)21-7-18-12-14(23)19-16(24)20(2)15(12)21/h4-8H,1-3H3,(H,19,23,24)
InChIKey
BXVPJPRDSIWIBE-UHFFFAOYSA-N
Synonyms

9(1(2fluoro4methoxyphenyl)1oxopropan2yl)3methyl39dihydro1Hpurine26dione
9(1(2FLUORO4METHOXYPHENYL)1OXOPROPAN2YL)3METHYLPURINE26DIONE
9(2(2FLUORO4METHOXYPHENYL)1METHYL2OXOETHYL)3METHYL39DIHYDRO1HPURINE26DIONE
CC(C(=O)C1=C(C=C(C=C1)OC)F)N2C=NC3=C2N(C(=O)NC3=O)C
COc1ccc(c(c1)F)C(=O)C(n1cnc2c1n(C)c(=O)(nH)c2=O)C
InChI=1SC16H15FN4O4c18(13(22)10549(253)611(10)17)217181214(23)1916(24)20(2)15(12)21h48H13H3(H192324)
MFCD03459937
ZINC000001414399
ZINC000001414400

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Available files

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