Vitas-M small molecule compound
(5E)-5-{3,5-dichloro-4-[(4-nitrobenzyl)oxy]benzylidene}-1-[4-(propan-2-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK064197
SMILES CC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)[N+](=O)[O-])/C1=O)C
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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 C27H21Cl2N3O6 MW 554.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21Cl2N3O6/c1-15(2)18-5-9-19(10-6-18)31-26(34)21(25(33)30-27(31)35)11-17-12-22(28)24(23(29)13-17)38-14-16-3-7-20(8-4-16)32(36)37/h3-13,15H,14H2,1-2H3,(H,30,33,35)/b21-11+InChIKey
YLAONAKUYDIUAO-SRZZPIQSSA-NSynonyms
(5E)5((35DICHLORO4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)1(4PROPAN2YLPHENYL)13DIAZINANE246TRIONE
(5E)5(35DICHLORO4((4NITROBENZYL)OXY)BENZYLIDENE)1(4(PROPAN2YL)PHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=C(C=C4)(N+)(=O)(O))Cl)C(=O)NC2=O
CC(c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)(N+)(=O)(O))C1=O)C
InChI=1SC27H21Cl2N3O6c115(2)185919(10618)3126(34)21(25(33)3027(31)35)11171222(28)24(23(29)1317)3814163720(8416)32(36)37h31315H14H212H3(H303335)b2111+
MFCD02194046
STK064197
ZINC000100216002
ZINC100216002
Check stock
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Check stock on Vitas-MAvailable files
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