Vitas-M small molecule compound
6-hydroxy-2-{(E)-2-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]ethenyl}-5-nitropyrimidin-4(3H)-one
Catalog ID
STK869116
SMILES C=CCOc1c(cccc1OC)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[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 C16H15N3O6 MW 345.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O6/c1-3-9-25-14-10(5-4-6-11(14)24-2)7-8-12-17-15(20)13(19(22)23)16(21)18-12/h3-8H,1,9H2,2H3,(H2,17,18,20,21)/b8-7+InChIKey
ZQAJREPFEMZQPA-BQYQJAHWSA-NSynonyms
838817-76-8(E)2(2(allyloxy)3methoxystyryl)6hydroxy5nitropyrimidin4(3H)one
4HYDROXY2((E)2(3METHOXY2PROP2ENOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((E)2(3methoxy2(prop2en1yloxy)phenyl)ethenyl)5nitropyrimidin4(3H)one
838817768
C=CCOc1c(cccc1OC)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
COC1=CC=CC(=C1OCC=C)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
InChI=1SC16H15N3O6c139251410(54611(14)242)78121715(20)13(19(22)23)16(21)1812h38H19H22H3(H217182021)b87+
MFCD06632633
ZINC000009235225
ZINC9235225
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