Vitas-M small molecule compound
2-[(E)-2-(1-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358775
SMILES CCn1cc(c2c1cccc2)/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 C16H14N4O4 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4/c1-2-19-9-10(11-5-3-4-6-12(11)19)7-8-13-17-15(21)14(20(23)24)16(22)18-13/h3-9H,2H2,1H3,(H2,17,18,21,22)/b8-7+InChIKey
WGDZDJNBKAPORZ-BQYQJAHWSA-NSynonyms
2((1E)2(1ETHYLINDOL3YL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
2((E)2(1ethyl1Hindol3yl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(1ETHYL1HINDOL3YL)VINYL)6HYDROXY5NITRO3HPYRIMIDIN4ONE
2((E)2(1ETHYLINDOL3YL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CCN1C=C(C2=CC=CC=C21)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
CCn1cc(c2c1cccc2)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC16H14N4O4c1219910(11534612(11)19)78131715(21)14(20(23)24)16(22)1813h39H2H21H3(H217182122)b87+
MFCD06010572
ZINC000009010341
ZINC9010341
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