Vitas-M small molecule compound
(5Z)-5-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL172358
SMILES C=CCOc1cc(Br)c(cc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
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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 C31H31BrN2O5 MW 591.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrN2O5/c1-3-8-39-27-14-25(32)21(13-26(27)38-2)12-24-28(35)33-30(37)34(29(24)36)23-6-4-22(5-7-23)31-15-18-9-19(16-31)11-20(10-18)17-31/h3-7,12-14,18-20H,1,8-11,15-17H2,2H3,(H,33,35,37)/b24-12-InChIKey
DLKKEVWATQDAJY-MSXFZWOLSA-NSynonyms
678561-16-5(5Z)1(4(1adamantyl)phenyl)5((2bromo5methoxy4prop2enoxyphenyl)methylidene)13diazinane246trione
(5Z)5(2bromo5methoxy4(prop2en1yloxy)benzylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
678561165
C=CCOc1cc(Br)c(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)Br)OCC=C
InChI=1SC31H31BrN2O5c13839271425(32)21(1326(27)382)122428(35)3330(37)34(29(24)36)236422(5723)311518919(1631)1120(1018)1731h3712141820H18111517H22H3(H333537)b2412
ZINC000100320603
ZINC100320603
Check stock
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