Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Catalog ID
STK626778
SMILES OC1=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/C(=N1)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 C17H14N4O5 MW 354.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O5/c1-9-7-11(8-14-15(22)18-17(24)19-16(14)23)10(2)20(9)12-3-5-13(6-4-12)21(25)26/h3-8H,1-2H3,(H2,18,19,22,23,24)InChIKey
NJIOXOAKWGDBTP-UHFFFAOYSA-NSynonyms
(5E)5((25dimethyl1(4nitrophenyl)1Hpyrrol3yl)methylidene)26dihydroxypyrimidin4(5H)one
5((25DIMETHYL1(4NITROPHENYL)PYRROL3YL)METHYLENE)13DIHYDROPYRIMIDINE246TRIONE
5((25DIMETHYL1(4NITROPHENYL)PYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=CC(=C(N1C2=CC=C(C=C2)(N+)(=O)(O))C)C=C3C(=O)NC(=O)NC3=O
InChI=1SC17H14N4O5c19711(81415(22)1817(24)1916(14)23)10(2)20(9)123513(6412)21(25)26h38H12H3(H21819222324)
MFCD09791263
OC1=NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)(N+)(=O)(O))C)C(=N1)O
ZINC000013553052
ZINC13553052
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