Vitas-M small molecule compound

6-methyl-9-(4-methylphenyl)-2-[(4-methylphenyl)amino]-9H-purine-8-thiol

Catalog ID
STL444732
SMILES Cc1ccc(cc1)Nc1nc(C)c2c(n1)n(c1ccc(cc1)C)c(n2)S

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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 C20H19N5S MW 361.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5S/c1-12-4-8-15(9-5-12)22-19-21-14(3)17-18(24-19)25(20(26)23-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3,(H,23,26)(H,21,22,24)
InChIKey
NDWVOBIXBQFLDN-UHFFFAOYSA-N
Synonyms

6methyl2(4methylanilino)9(4methylphenyl)7Hpurine8thione
6methyl9(4methylphenyl)2((4methylphenyl)amino)9Hpurine8thiol
CC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C(=S)N3)C4=CC=C(C=C4)C)C
InChI=1SC20H19N5Sc1124815(9512)22192114(3)1718(2419)25(20(26)2317)1610613(2)71116h411H13H3(H2326)(H212224)
MFCD13899603
ZINC000020059026

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Available files

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