Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK089533
SMILES COc1cc(ccc1OCCOc1cccc(c1)C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C27H23BrN2O6 MW 551.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O6/c1-17-4-3-5-21(14-17)35-12-13-36-23-11-6-18(16-24(23)34-2)15-22-25(31)29-27(33)30(26(22)32)20-9-7-19(28)8-10-20/h3-11,14-16H,12-13H2,1-2H3,(H,29,31,33)/b22-15-InChIKey
MZWYCNJVGBYWCO-JCMHNJIXSA-NSynonyms
(5Z)1(4bromophenyl)5((3methoxy4(2(3methylphenoxy)ethoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(3METHOXY4(2(3METHYLPHENOXY)ETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)OC
COc1cc(ccc1OCCOc1cccc(c1)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC27H23BrN2O6c11743521(1417)351213362311618(1624(23)342)152225(31)2927(33)30(26(22)32)209719(28)81020h3111416H1213H212H3(H293133)b2215
MFCD05976084
STK089533
ZINC000097959185
ZINC97959185
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