Vitas-M small molecule compound

5-(8-hydroxy-3-methyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-chromeno[2,3-d]pyrimidin-5-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate

Catalog ID
STL349710
SMILES Oc1ccc2c(c1)Oc1c(C2c2c(=O)[nH]c(=O)n(c2[O-])C)c(=O)n(c(=O)[nH]1)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 C17H13N4O7 MW 385.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O7/c1-20-14(24)10(12(23)18-16(20)26)9-7-4-3-6(22)5-8(7)28-13-11(9)15(25)21(2)17(27)19-13/h3-5,9,22,24H,1-2H3,(H,19,27)(H,18,23,26)/p-1
InChIKey
JUJQYROWBDHTIF-UHFFFAOYSA-M
Synonyms

5(8hydroxy3methyl24dioxo1345tetrahydro2Hchromeno(23d)pyrimidin5yl)3methyl26dioxo1236tetrahydropyrimidin4olate
5(8HYDROXY3METHYL24DIOXO15DIHYDROCHROMENO(23D)PYRIMIDIN5YL)3METHYL26DIOXOPYRIMIDIN4OLATE
CN1C(=C(C(=O)NC1=O)C2C3=C(C=C(C=C3)O)OC4=C2C(=O)N(C(=O)N4)C)(O)
InChI=1SC17H14N4O7c12014(24)10(12(23)1816(20)26)97436(22)58(7)281311(9)15(25)21(2)17(27)1913h3592224H12H3(H1927)(H182326)p1
Oc1ccc2c(c1)Oc1c(C2c2c(=O)(nH)c(=O)n(c2(O))C)c(=O)n(c(=O)(nH)1)C
ZINC000009488002
ZINC000009488003

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Available files

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