Vitas-M small molecule compound
6-hydroxy-5-nitro-2-[(E)-2-(2-propoxynaphthalen-1-yl)ethenyl]pyrimidin-4(3H)-one
Catalog ID
STL358692
SMILES CCCOc1ccc2c(c1/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-])cccc2
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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 C19H17N3O5 MW 367.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5/c1-2-11-27-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16-20-18(23)17(22(25)26)19(24)21-16/h3-10H,2,11H2,1H3,(H2,20,21,23,24)/b10-8+InChIKey
OITHJYAUWKMIBQ-CSKARUKUSA-NSynonyms
797779-19-24HYDROXY5NITRO2((E)2(2PROPOXYNAPHTHALEN1YL)ETHENYL)1HPYRIMIDIN6ONE
6hydroxy5nitro2((E)2(2propoxynaphthalen1yl)ethenyl)pyrimidin4(3H)one
797779192
CCCOC1=C(C2=CC=CC=C2C=C1)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
CCCOc1ccc2c(c1C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O))cccc2
InChI=1SC19H17N3O5c121127159712534613(12)14(15)810162018(23)17(22(25)26)19(24)2116h310H211H21H3(H220212324)b108+
MFCD06010611
ZINC000009234910
ZINC9234910
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