Vitas-M small molecule compound
(5E)-1-(3-fluorophenyl)-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
STL485493
SMILES Fc1cccc(c1)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 C44H38FN5O4 MW 719.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H38FN5O4/c1-27(39-42(52)48(3)44(54)50(43(39)53)31-15-11-14-30(45)25-31)46-26-36-32-16-7-8-18-34(32)41(51)49(23-22-28-12-5-4-6-13-28)40(36)29-20-21-38-35(24-29)33-17-9-10-19-37(33)47(38)2/h4-21,24-25,36,40,46H,22-23,26H2,1-3H3/b39-27+InChIKey
AGKVKIUVXNOFOM-XOKHWMEBSA-NSynonyms
(5E)1(3fluorophenyl)3methyl5(1(((3(9methyl9Hcarbazol3yl)1oxo2(2phenylethyl)1234tetrahydroisoquinolin4yl)methyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
Fc1cccc(c1)N1C(=O)C(=C(NCC2C(c3ccc4c(c3)c3ccccc3n4C)N(CCc3ccccc3)C(=O)c3c2cccc3)C)C(=O)N(C1=O)C
MFCD30714108
ZINC000575442786
ZINC000575442789
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