Vitas-M small molecule compound
(5E)-5-(3-chloro-4,5-diethoxybenzylidene)-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK105326
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)C23CC4CC(C3)CC(C2)C4)cc(c1OCC)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 C31H33ClN2O5 MW 549.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33ClN2O5/c1-3-38-26-14-18(13-25(32)27(26)39-4-2)12-24-28(35)33-30(37)34(29(24)36)23-7-5-22(6-8-23)31-15-19-9-20(16-31)11-21(10-19)17-31/h5-8,12-14,19-21H,3-4,9-11,15-17H2,1-2H3,(H,33,35,37)/b24-12+InChIKey
BGMPJEXKPXMZPH-WYMPLXKRSA-NSynonyms
(5E)1(4(1ADAMANTYL)PHENYL)5((3CHLORO45DIETHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)5(3chloro45diethoxybenzylidene)1(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine246(1H3H5H)trione
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)Cl)OCC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C23CC4CC(C3)CC(C2)C4)cc(c1OCC)Cl
InChI=1SC31H33ClN2O5c1338261418(1325(32)27(26)3942)122428(35)3330(37)34(29(24)36)237522(6823)311519920(1631)1121(1019)1731h5812141921H349111517H212H3(H333537)b2412+
MFCD03064226
ZINC000097959533
ZINC97959533
Check stock
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Check stock on Vitas-MAvailable files
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