Vitas-M small molecule compound

7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL481919
SMILES Clc1ccc(c(c1)Cl)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)Sc1nncn1C

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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 C17H15Cl2N7O2S MW 452.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15Cl2N7O2S/c1-23-8-20-22-16(23)29-15-21-13-12(14(27)25(3)17(28)24(13)2)26(15)7-9-4-5-10(18)6-11(9)19/h4-6,8H,7H2,1-3H3
InChIKey
XYVUWYIEPVXINL-UHFFFAOYSA-N
Synonyms

7((24DICHLOROPHENYL)METHYL)13DIMETHYL8((4METHYL124TRIAZOL3YL)SULFANYL)PURINE26DIONE
7((24DICHLOROPHENYL)METHYL)13DIMETHYL8(4METHYL(124TRIAZOL3YLTHIO))137TRIHYDROPURINE26DIONE
7(24dichlorobenzyl)13dimethyl8((4methyl4H124triazol3yl)sulfanyl)37dihydro1Hpurine26dione
7(24DICHLOROBENZYL)13DIMETHYL8((4METHYL4H124TRIAZOL3YL)THIO)37DIHYDRO1HPURINE26DIONE
CN1C=NN=C1SC2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C
InChI=1SC17H15Cl2N7O2Sc1238202216(23)2915211312(14(27)25(3)17(28)24(13)2)26(15)794510(18)611(9)19h468H7H213H3
MFCD01873688
ZINC000001093704
ZINC01093704
ZINC1093704

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Available files

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