Vitas-M small molecule compound
6-hydroxy-5-nitro-2-{(E)-2-[2-(propan-2-yloxy)phenyl]ethenyl}pyrimidin-4(3H)-one
Catalog ID
STL358781
SMILES CC(Oc1ccccc1/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[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 C15H15N3O5 MW 317.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O5/c1-9(2)23-11-6-4-3-5-10(11)7-8-12-16-14(19)13(18(21)22)15(20)17-12/h3-9H,1-2H3,(H2,16,17,19,20)/b8-7+InChIKey
IUQFDFVZSNBNHX-BQYQJAHWSA-NSynonyms
2((1E)2(2(METHYLETHOXY)PHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
4HYDROXY5NITRO2((E)2(2PROPAN2YLOXYPHENYL)ETHENYL)1HPYRIMIDIN6ONE
6HYDROXY2((E)2(2ISOPROPOXYPHENYL)VINYL)5NITRO3HPYRIMIDIN4ONE
6hydroxy5nitro2((E)2(2(propan2yloxy)phenyl)ethenyl)pyrimidin4(3H)one
CC(C)OC1=CC=CC=C1C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
CC(Oc1ccccc1C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O))C
InChI=1SC15H15N3O5c19(2)2311643510(11)78121614(19)13(18(21)22)15(20)1712h39H12H3(H216171920)b87+
MFCD01652610
ZINC000005080721
ZINC5080721
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