Vitas-M small molecule compound
(5Z)-1-(3,5-dimethylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170285
SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2c2ccccc2)c2ccc(cc2)[N+](=O)[O-])c2ccccc2)/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 C35H26N4O5 MW 582.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26N4O5/c1-22-17-23(2)19-29(18-22)38-34(41)30(33(40)36-35(38)42)20-26-21-31(24-9-5-3-6-10-24)37(32(26)25-11-7-4-8-12-25)27-13-15-28(16-14-27)39(43)44/h3-21H,1-2H3,(H,36,40,42)/b30-20-InChIKey
NXRMEDYZEZDQSH-COEJQBHMSA-NSynonyms
(5Z)1(35DIMETHYLPHENYL)5((1(4NITROPHENYL)25DIPHENYL1HPYRROL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)1(35DIMETHYLPHENYL)5((1(4NITROPHENYL)25DIPHENYLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))C6=CC=CC=C6)C(=O)NC2=O)C
Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2cc(n(c2c2ccccc2)c2ccc(cc2)(N+)(=O)(O))c2ccccc2)C1=O
InChI=1SC35H26N4O5c1221723(2)1929(1822)3834(41)30(33(40)3635(38)42)20262131(2495361024)37(32(26)25117481225)27131528(161427)39(43)44h321H12H3(H364042)b3020
MFCD01541150
ZINC000100192526
ZINC100192526
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.