Vitas-M small molecule compound

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

Catalog ID
STK004516
SMILES COc1cc(ccc1OCCOc1ccc(cc1)C(CC)C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br

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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 C30H29BrN2O6 MW 593.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29BrN2O6/c1-4-19(2)21-6-12-24(13-7-21)38-15-16-39-26-14-5-20(18-27(26)37-3)17-25-28(34)32-30(36)33(29(25)35)23-10-8-22(31)9-11-23/h5-14,17-19H,4,15-16H2,1-3H3,(H,32,34,36)/b25-17-
InChIKey
YECCTLNWLJOPIA-UQQQWYQISA-N
Synonyms

(5Z)1(4bromophenyl)5((4(2(4butan2ylphenoxy)ethoxy)3methoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(4(2(4(BUTAN2YL)PHENOXY)ETHOXY)3METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)OC
COc1cc(ccc1OCCOc1ccc(cc1)C(CC)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC30H29BrN2O6c1419(2)2161224(13721)381516392614520(1827(26)373)172528(34)3230(36)33(29(25)35)2310822(31)91123h5141719H41516H213H3(H323436)b2517
MFCD05976083
STK004516
ZINC000097957779
ZINC000097957780

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Available files

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