Vitas-M small molecule compound
(5E)-1-(4-methoxyphenyl)-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
STL485489
SMILES COc1ccc(cc1)N1C(=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 C45H41N5O5 MW 731.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H41N5O5/c1-28(40-43(52)48(3)45(54)50(44(40)53)31-19-21-32(55-4)22-20-31)46-27-37-33-14-8-9-16-35(33)42(51)49(25-24-29-12-6-5-7-13-29)41(37)30-18-23-39-36(26-30)34-15-10-11-17-38(34)47(39)2/h5-23,26,37,41,46H,24-25,27H2,1-4H3/b40-28+InChIKey
CFCDINFXQXCYMY-JFXHSDHMSA-NSynonyms
(5E)1(4methoxyphenyl)3methyl5(1(((3(9methyl9Hcarbazol3yl)1oxo2(2phenylethyl)1234tetrahydroisoquinolin4yl)methyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
COc1ccc(cc1)N1C(=O)C(=C(NCC2C(c3ccc4c(c3)c3ccccc3n4C)N(CCc3ccccc3)C(=O)c3c2cccc3)C)C(=O)N(C1=O)C
MFCD30714104
ZINC000575442810
ZINC000575442813
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