Vitas-M small molecule compound
(5Z)-5-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}benzylidene)-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK062966
SMILES CCC(c1ccc(cc1)OCCOc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)C)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 C30H30N2O5 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O5/c1-4-21(3)23-10-14-26(15-11-23)37-17-16-36-25-12-8-22(9-13-25)19-27-28(33)31-30(35)32(29(27)34)24-7-5-6-20(2)18-24/h5-15,18-19,21H,4,16-17H2,1-3H3,(H,31,33,35)/b27-19-InChIKey
PPGHCLRPCMQPNT-DIBXZPPDSA-NSynonyms
(5Z)5((4(2(4butan2ylphenoxy)ethoxy)phenyl)methylidene)1(3methylphenyl)13diazinane246trione
(5Z)5(4(2(4(BUTAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C
CCC(c1ccc(cc1)OCCOc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C)C
InChI=1SC30H30N2O5c1421(3)23101426(151123)371716362512822(91325)192728(33)3130(35)32(29(27)34)2475620(2)1824h515181921H41617H213H3(H313335)b2719
MFCD01873513
STK062966
ZINC000009553664
ZINC000013897174
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