Vitas-M small molecule compound
(5E)-1-(2-ethoxyphenyl)-3-methyl-5-[1-({[3-(9-methyl-9H-carbazol-3-yl)-1-oxo-2-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl}amino)ethylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL485490
SMILES CCOc1ccccc1N1C(=O)/C(=C(/NCC2C(c3ccc4c(c3)c3ccccc3n4C)N(CCc3ccccc3)C(=O)c3c2cccc3)\C)/C(=O)N(C1=O)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 C46H43N5O5 MW 745.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H43N5O5/c1-5-56-40-22-14-13-21-39(40)51-45(54)41(44(53)49(4)46(51)55)29(2)47-28-36-32-17-9-10-19-34(32)43(52)50(26-25-30-15-7-6-8-16-30)42(36)31-23-24-38-35(27-31)33-18-11-12-20-37(33)48(38)3/h6-24,27,36,42,47H,5,25-26,28H2,1-4H3/b41-29+InChIKey
HEKWEWJRELZEKM-MLYMZAKTSA-NSynonyms
(5E)1(2ethoxyphenyl)3methyl5(1(((3(9methyl9Hcarbazol3yl)1oxo2(2phenylethyl)1234tetrahydroisoquinolin4yl)methyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
CCOc1ccccc1N1C(=O)C(=C(NCC2C(c3ccc4c(c3)c3ccccc3n4C)N(CCc3ccccc3)C(=O)c3c2cccc3)C)C(=O)N(C1=O)C
MFCD30714105
ZINC000575442863
ZINC000575442866
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