Vitas-M small molecule compound
(5Z)-5-{3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK089441
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCCOc1ccccc1OC)Br
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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 C29H27BrN2O7 MW 595.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O7/c1-4-37-25-17-19(16-22(30)26(25)39-14-13-38-24-8-6-5-7-23(24)36-3)15-21-27(33)31-29(35)32(28(21)34)20-11-9-18(2)10-12-20/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,33,35)/b21-15-InChIKey
QCFDTXIMBXLYNU-QNGOZBTKSA-NSynonyms
(5Z)5((3bromo5ethoxy4(2(2methoxyphenoxy)ethoxy)phenyl)methylidene)1(4methylphenyl)13diazinane246trione
(5Z)5(3BROMO5ETHOXY4(2(2METHOXYPHENOXY)ETHOXY)BENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)Br)OCCOC4=CC=CC=C4OC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCCOc1ccccc1OC)Br
InChI=1SC29H27BrN2O7c1437251719(1622(30)26(25)3914133824865723(24)363)152127(33)3129(35)32(28(21)34)2011918(2)101220h5121517H41314H213H3(H313335)b2115
MFCD03227862
STK089441
ZINC000097959181
ZINC97959181
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