Vitas-M small molecule compound

2-[(4-chlorobenzyl)amino]-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one

Catalog ID
STK291902
SMILES CSc1ccc(cc1)C1N=C(NCc2ccc(cc2)Cl)Nc2n1c(=O)cc(n2)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 C21H20ClN5OS MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5OS/c1-13-11-18(28)27-19(15-5-9-17(29-2)10-6-15)25-20(26-21(27)24-13)23-12-14-3-7-16(22)8-4-14/h3-11,19H,12H2,1-2H3,(H2,23,24,25,26)
InChIKey
GRLKKEXKQJVWGU-UHFFFAOYSA-N
Synonyms

2(((4CHLOROPHENYL)METHYL)AMINO)8METHYL4(4METHYLTHIOPHENYL)5HYDRO1H4HPYRIMIDINO(21B)135TRIAZIN6ONE
2((4chlorobenzyl)amino)8methyl4(4(methylsulfanyl)phenyl)14dihydro6Hpyrimido(12a)(135)triazin6one
2((4CHLOROBENZYL)AMINO)8METHYL4(4(METHYLTHIO)PHENYL)14DIHYDRO6HPYRIMIDO(12A)(135)TRIAZIN6ONE
2((4chlorophenyl)methylamino)8methyl4(4methylsulfanylphenyl)49dihydropyrimido(12a)(135)triazin6one
CC1=CC(=O)N2C(N=C(N=C2N1)NCC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)SC
InChI=1SC21H20ClN5OSc1131118(28)2719(155917(292)10615)2520(2621(27)2413)2312143716(22)8414h31119H12H212H3(H223242526)
MFCD08132028
ZINC000100134428
ZINC000100134431

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Available files

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