Vitas-M small molecule compound

(5E)-1-(3,5-dimethylphenyl)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK175129
SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)/C(=C\c2cccn2c2ccc(cc2)[N+](=O)[O-])/C1=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 C23H18N4O5 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5/c1-14-10-15(2)12-19(11-14)26-22(29)20(21(28)24-23(26)30)13-18-4-3-9-25(18)16-5-7-17(8-6-16)27(31)32/h3-13H,1-2H3,(H,24,28,30)/b20-13+
InChIKey
KUDVSUIGRBEONH-DEDYPNTBSA-N
Synonyms

(5E)1(35DIMETHYLPHENYL)5((1(4NITROPHENYL)1HPYRROL2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(35DIMETHYLPHENYL)5((1(4NITROPHENYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=O)C
Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2cccn2c2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC23H18N4O5c1141015(2)1219(1114)2622(29)20(21(28)2423(26)30)131843925(18)165717(8616)27(31)32h313H12H3(H242830)b2013+
MFCD03706705
ZINC000001151191
ZINC1151191

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Available files

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