Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL036596
SMILES Cc1cc(C)cc(c1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C1=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 C25H22N4O5 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5/c1-14-8-15(2)10-21(9-14)28-24(31)22(23(30)26-25(28)32)12-18-11-16(3)27(17(18)4)19-6-5-7-20(13-19)29(33)34/h5-13H,1-4H3,(H,26,30,32)/b22-12+InChIKey
OMARYOCHCGVSOQ-WSDLNYQXSA-NSynonyms
330632-91-2(5E)5((25dimethyl1(3nitrophenyl)1Hpyrrol3yl)methylidene)3(35dimethylphenyl)6hydroxypyrimidine24(3H5H)dione
(5E)5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)1(35DIMETHYLPHENYL)13DIAZINANE246TRIONE
330632912
5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLENE)1(35DIMETHYLPHENYL)13DIHYDROPYRIMIDINE246TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=CC=C4)(N+)(=O)(O))C)C(=O)NC2=O)C
Cc1cc(C)cc(c1)N1C(=O)N=C(C(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C1=O)O
InChI=1SC25H22N4O5c114815(2)1021(914)2824(31)22(23(30)2625(28)32)12181116(3)27(17(18)4)1965720(1319)29(33)34h513H14H3(H263032)b2212+
MFCD08735848
ZINC000008743066
ZINC8743066
Check stock
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Check stock on Vitas-MAvailable files
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