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)(phenyl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL485481
SMILES CN1C(=O)N(C)C(=O)C(=C(c2ccccc2)NCC2c3ccccc3C(=O)N(C2c2ccc3c(c2)c2ccccc2n3C)CCc2ccccc2)C1=O

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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 C44H39N5O4 MW 701.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H39N5O4/c1-46-36-21-13-12-19-32(36)34-26-30(22-23-37(34)46)40-35(31-18-10-11-20-33(31)41(50)49(40)25-24-28-14-6-4-7-15-28)27-45-39(29-16-8-5-9-17-29)38-42(51)47(2)44(53)48(3)43(38)52/h4-23,26,35,40,45H,24-25,27H2,1-3H3
InChIKey
XLWNZYHCUFTYPZ-UHFFFAOYSA-N
Synonyms

13dimethyl5((((3(9methyl9Hcarbazol3yl)1oxo2(2phenylethyl)1234tetrahydroisoquinolin4yl)methyl)amino)(phenyl)methylidene)pyrimidine246(1H3H5H)trione
13dimethyl5(((3(9methylcarbazol3yl)1oxo2(2phenylethyl)34dihydroisoquinolin4yl)methylamino)phenylmethylidene)13diazinane246trione
13DIMETHYL5(((3(9METHYLCARBAZOL3YL)1OXO2PHENETHYL34DIHYDROISOQUINOLIN4YL)METHYLAMINO)PHENYLMETHYLIDENE)13DIAZINANE246TRIONE
CN1C2=C(C=C(C=C2)C3C(C4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)CNC(=C6C(=O)N(C(=O)N(C6=O)C)C)C7=CC=CC=C7)C8=CC=CC=C81
InChI=1SC44H39N5O4c146362113121932(36)342630(222337(34)46)4035(311810112033(31)41(50)49(40)252428146471528)274539(29168591729)3842(51)47(2)44(53)48(3)43(38)52h42326354045H242527H213H3
MFCD30714097
ZINC000150622379
ZINC000150622392

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Available files

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