Vitas-M small molecule compound
(5Z)-5-(2-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-chlorobenzylidene)-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK090707
SMILES CCC(c1ccc(cc1)OCCOc1ccc(cc1/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)C)Cl)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 C30H29ClN2O5 MW 533.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN2O5/c1-4-20(3)21-8-11-25(12-9-21)37-14-15-38-27-13-10-23(31)17-22(27)18-26-28(34)32-30(36)33(29(26)35)24-7-5-6-19(2)16-24/h5-13,16-18,20H,4,14-15H2,1-3H3,(H,32,34,36)/b26-18-InChIKey
QHFJYSULOSSEDK-ITYLOYPMSA-NSynonyms
(5Z)5((2(2(4butan2ylphenoxy)ethoxy)5chlorophenyl)methylidene)1(3methylphenyl)13diazinane246trione
(5Z)5(2(2(4(BUTAN2YL)PHENOXY)ETHOXY)5CHLOROBENZYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C
CCC(c1ccc(cc1)OCCOc1ccc(cc1C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C)Cl)C
InChI=1SC30H29ClN2O5c1420(3)2181125(12921)3714153827131023(31)1722(27)182628(34)3230(36)33(29(26)35)2475619(2)1624h513161820H41415H213H3(H323436)b2618
MFCD03183834
STK090707
ZINC000097959195
ZINC000097959196
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