Vitas-M small molecule compound
(5E)-1-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]-3-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL485487
SMILES Cc1ccc(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 C45H41N5O4 MW 715.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H41N5O4/c1-28-18-21-32(22-19-28)50-44(53)40(43(52)48(4)45(50)54)29(2)46-27-37-33-14-8-9-16-35(33)42(51)49(25-24-30-12-6-5-7-13-30)41(37)31-20-23-39-36(26-31)34-15-10-11-17-38(34)47(39)3/h5-23,26,37,41,46H,24-25,27H2,1-4H3/b40-29+InChIKey
ZTLYCZCABGXHAK-JVFAEYSFSA-NSynonyms
(5E)1methyl5(1(((3(9methyl9Hcarbazol3yl)1oxo2(2phenylethyl)1234tetrahydroisoquinolin4yl)methyl)amino)ethylidene)3(4methylphenyl)pyrimidine246(1H3H5H)trione
Cc1ccc(cc1)N1C(=O)C(=C(NCC2C(c3ccc4c(c3)c3ccccc3n4C)N(CCc3ccccc3)C(=O)c3c2cccc3)C)C(=O)N(C1=O)C
MFCD30714102
ZINC000575443695
ZINC000575443699
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