Vitas-M small molecule compound
(5Z)-5-{5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzylidene}-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK002153
SMILES Clc1ccc(c(c1)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)C)OCCOc1ccc(cc1)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 C27H23ClN2O5 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O5/c1-17-6-9-22(10-7-17)34-12-13-35-24-11-8-20(28)15-19(24)16-23-25(31)29-27(33)30(26(23)32)21-5-3-4-18(2)14-21/h3-11,14-16H,12-13H2,1-2H3,(H,29,31,33)/b23-16-InChIKey
QRTXLJLGCDLIJG-KQWNVCNZSA-NSynonyms
(5Z)5((5chloro2(2(4methylphenoxy)ethoxy)phenyl)methylidene)1(3methylphenyl)13diazinane246trione
(5Z)5(5CHLORO2(2(4METHYLPHENOXY)ETHOXY)BENZYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C
Clc1ccc(c(c1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C)OCCOc1ccc(cc1)C
InChI=1SC27H23ClN2O5c1176922(10717)341213352411820(28)1519(24)162325(31)2927(33)30(26(23)32)2153418(2)1421h3111416H1213H212H3(H293133)b2316
MFCD01873562
STK002153
ZINC000008916105
ZINC08916105
ZINC8916105
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