Vitas-M small molecule compound
(5E)-5-{5-bromo-2-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK014121
SMILES CCc1cc(OCCOc2ccc(cc2/C=C/2\C(=O)NC(=O)N(C2=O)c2cccc(c2)C)Br)cc(c1)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 C29H27BrN2O5 MW 563.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O5/c1-4-20-12-19(3)14-24(15-20)36-10-11-37-26-9-8-22(30)16-21(26)17-25-27(33)31-29(35)32(28(25)34)23-7-5-6-18(2)13-23/h5-9,12-17H,4,10-11H2,1-3H3,(H,31,33,35)/b25-17+InChIKey
FEQDTRSDJFBIHP-KOEQRZSOSA-NSynonyms
(5E)5((5BROMO2(2(3ETHYL5METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1(3METHYLPHENYL)13DIAZINANE246TRIONE
(5E)5(5BROMO2(2(3ETHYL5METHYLPHENOXY)ETHOXY)BENZYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC1=CC(=CC(=C1)C)OCCOC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C
CCc1cc(OCCOc2ccc(cc2C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)C)Br)cc(c1)C
InChI=1SC29H27BrN2O5c14201219(3)1424(1520)36101137269822(30)1621(26)172527(33)3129(35)32(28(25)34)2375618(2)1323h591217H41011H213H3(H313335)b2517+
MFCD02017763
STK014121
ZINC000100159456
ZINC100159456
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