Vitas-M small molecule compound

(5Z)-5-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-chloro-5-ethoxybenzylidene)-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK060106
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCCOc1ccc(cc1)C(CC)C)Cl

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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 C32H33ClN2O6 MW 577.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33ClN2O6/c1-5-21(4)23-9-13-25(14-10-23)40-15-16-41-29-27(33)18-22(19-28(29)39-6-2)17-26-30(36)34-32(38)35(31(26)37)24-11-7-20(3)8-12-24/h7-14,17-19,21H,5-6,15-16H2,1-4H3,(H,34,36,38)/b26-17-
InChIKey
XYVRAQDUTMZTAW-ONUIUJJFSA-N
Synonyms

(5Z)5((4(2(4butan2ylphenoxy)ethoxy)3chloro5ethoxyphenyl)methylidene)1(4methylphenyl)13diazinane246trione
(5Z)5(4(2(4(BUTAN2YL)PHENOXY)ETHOXY)3CHLORO5ETHOXYBENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)C)OCC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCCOc1ccc(cc1)C(CC)C)Cl
InChI=1SC32H33ClN2O6c1521(4)2391325(141023)401516412927(33)1822(1928(29)3962)172630(36)3432(38)35(31(26)37)2411720(3)81224h714171921H561516H214H3(H343638)b2617
MFCD01873507
STK060106
ZINC000100230238
ZINC000100230245

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Available files

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