Vitas-M small molecule compound
5-(1,3-benzodioxol-5-ylmethyl)-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Catalog ID
STL047200
SMILES Oc1nc(=O)[nH]c(c1Cc1ccc2c(c1)OCO2)[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 C12H9N2O5 MW 261.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N2O5/c15-10-7(11(16)14-12(17)13-10)3-6-1-2-8-9(4-6)19-5-18-8/h1-2,4H,3,5H2,(H3,13,14,15,16,17)/p-1InChIKey
PTOXLYWCDPIGQR-UHFFFAOYSA-MSynonyms
5(13BENZODIOXOL5YLMETHYL)24DIOXO1HPYRIMIDIN6OLATE
5(13benzodioxol5ylmethyl)6hydroxy2oxo23dihydropyrimidin4olate
C1OC2=C(O1)C=C(C=C2)CC3=C(NC(=O)NC3=O)(O)
InChI=1SC12H10N2O5c15107(11(16)1412(17)1310)361289(46)195188h124H35H2(H31314151617)p1
Oc1nc(=O)(nH)c(c1Cc1ccc2c(c1)OCO2)(O)
ZINC000005111946
ZINC05111946
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