Vitas-M small molecule compound
(5Z)-5-{5-chloro-2-[2-(3-methylphenoxy)ethoxy]benzylidene}-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK080585
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCCOc2cccc(c2)C)/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 C27H23ClN2O6 MW 506.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O6/c1-17-4-3-5-22(14-17)35-12-13-36-24-11-6-19(28)15-18(24)16-23-25(31)29-27(33)30(26(23)32)20-7-9-21(34-2)10-8-20/h3-11,14-16H,12-13H2,1-2H3,(H,29,31,33)/b23-16-InChIKey
CVZQJVBFRHEPIW-KQWNVCNZSA-NSynonyms
(5Z)5((5chloro2(2(3methylphenoxy)ethoxy)phenyl)methylidene)1(4methoxyphenyl)13diazinane246trione
(5Z)5(5CHLORO2(2(3METHYLPHENOXY)ETHOXY)BENZYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2OCCOc2cccc(c2)C)C1=O
InChI=1SC27H23ClN2O6c11743522(1417)351213362411619(28)1518(24)162325(31)2927(33)30(26(23)32)207921(342)10820h3111416H1213H212H3(H293133)b2316
MFCD02109741
STK080585
ZINC000013893015
ZINC13893015
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