Vitas-M small molecule compound
1,3-dimethyl-5-{({[3-(9-methyl-9H-carbazol-3-yl)-1-oxo-2-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl}amino)[(4-methylphenyl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL485485
SMILES Cc1ccc(cc1)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)NCC1c2ccccc2C(=O)N(C1c1ccc2c(c1)c1ccccc1n2C)CCc1ccccc1
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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 C45H42N6O4 MW 730.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H42N6O4/c1-28-18-21-31(22-19-28)47-41(39-43(53)49(3)45(55)50(4)44(39)54)46-27-36-32-14-8-9-16-34(32)42(52)51(25-24-29-12-6-5-7-13-29)40(36)30-20-23-38-35(26-30)33-15-10-11-17-37(33)48(38)2/h5-23,26,36,40,46-47H,24-25,27H2,1-4H3InChIKey
DTACOFPEGAKURW-UHFFFAOYSA-NSynonyms
13dimethyl5((((3(9methyl9Hcarbazol3yl)1oxo2(2phenylethyl)1234tetrahydroisoquinolin4yl)methyl)amino)((4methylphenyl)amino)methylidene)pyrimidine246(1H3H5H)trione
13dimethyl5((4methylanilino)((3(9methylcarbazol3yl)1oxo2(2phenylethyl)34dihydroisoquinolin4yl)methylamino)methylidene)13diazinane246trione
13DIMETHYL5((4METHYLANILINO)((3(9METHYLCARBAZOL3YL)1OXO2PHENETHYL34DIHYDROISOQUINOLIN4YL)METHYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
CC1=CC=C(C=C1)NC(=C2C(=O)N(C(=O)N(C2=O)C)C)NCC3C(N(C(=O)C4=CC=CC=C34)CCC5=CC=CC=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C
InChI=1SC45H42N6O4c128182131(221928)4741(3943(53)49(3)45(55)50(4)44(39)54)4627363214891634(32)42(52)51(252429126571329)40(36)3020233835(2630)331510111737(33)48(38)2h5232636404647H242527H214H3
MFCD30714101
ZINC000150622408
ZINC000150622419
Check stock
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