Vitas-M small molecule compound

6-hydroxy-2-{(E)-2-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethenyl}-5-nitropyrimidin-4(3H)-one

Catalog ID
STL358777
SMILES COc1ccc(cc1)n1c(C)cc(c1C)/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 C19H18N4O5 MW 382.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O5/c1-11-10-13(12(2)22(11)14-5-7-15(28-3)8-6-14)4-9-16-20-18(24)17(23(26)27)19(25)21-16/h4-10H,1-3H3,(H2,20,21,24,25)/b9-4+
InChIKey
FVRLLPQGILPLRC-RUDMXATFSA-N
Synonyms

4HYDROXY2((E)2(1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((E)2(1(4methoxyphenyl)25dimethyl1Hpyrrol3yl)ethenyl)5nitropyrimidin4(3H)one
CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
COc1ccc(cc1)n1c(C)cc(c1C)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC19H18N4O5c1111013(12(2)22(11)145715(283)8614)49162018(24)17(23(26)27)19(25)2116h410H13H3(H220212425)b94+
MFCD06010542
ZINC000013571185
ZINC13571185

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Available files

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