Vitas-M small molecule compound

6-hydroxy-2-{(E)-2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethenyl}-5-nitropyrimidin-4(3H)-one

Catalog ID
STL419388
SMILES C#CCOc1ccc(cc1OC)/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 C16H13N3O6 MW 343.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O6/c1-3-8-25-11-6-4-10(9-12(11)24-2)5-7-13-17-15(20)14(19(22)23)16(21)18-13/h1,4-7,9H,8H2,2H3,(H2,17,18,20,21)/b7-5+
InChIKey
WZFYHGMWWXSHLE-FNORWQNLSA-N
Synonyms

2((1E)2(3METHOXY4PROP2YNYLOXYPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
4HYDROXY2((E)2(3METHOXY4PROP2YNOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((E)2(3methoxy4(prop2yn1yloxy)phenyl)ethenyl)5nitropyrimidin4(3H)one
C#CCOc1ccc(cc1OC)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC#C
InChI=1SC16H13N3O6c13825116410(912(11)242)57131715(20)14(19(22)23)16(21)1813h1479H8H22H3(H217182021)b75+
MFCD05668335
ZINC9010330

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Available files

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