Vitas-M small molecule compound
(5Z)-5-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxybenzylidene}-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK017287
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)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 C32H34N2O6 MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O6/c1-6-38-28-20-22(10-15-27(28)40-17-16-39-25-13-11-23(12-14-25)32(3,4)5)19-26-29(35)33-31(37)34(30(26)36)24-9-7-8-21(2)18-24/h7-15,18-20H,6,16-17H2,1-5H3,(H,33,35,37)/b26-19-InChIKey
SIXRRSZLIKLCDZ-XHPQRKPJSA-NSynonyms
(5Z)5((4(2(4tertbutylphenoxy)ethoxy)3ethoxyphenyl)methylidene)1(3methylphenyl)13diazinane246trione
(5Z)5(4(2(4TERTBUTYLPHENOXY)ETHOXY)3ETHOXYBENZYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C)OCCOC4=CC=C(C=C4)C(C)(C)C
CCOc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
InChI=1SC32H34N2O6c1638282022(101527(28)4017163925131123(121425)32(34)5)192629(35)3331(37)34(30(26)36)2497821(2)1824h7151820H61617H215H3(H333537)b2619
MFCD02017655
STK017287
ZINC000100229142
ZINC100229142
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