Vitas-M small molecule compound
7-(4-bromobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK048952
SMILES Brc1ccc(cc1)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 C17H16BrN7O2S MW 462.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN7O2S/c1-22-9-19-21-16(22)28-15-20-13-12(14(26)24(3)17(27)23(13)2)25(15)8-10-4-6-11(18)7-5-10/h4-7,9H,8H2,1-3H3InChIKey
LLZYVSFJJNVCNX-UHFFFAOYSA-NSynonyms
7((4BROMOPHENYL)METHYL)13DIMETHYL8((4METHYL124TRIAZOL3YL)SULFANYL)PURINE26DIONE
7(4BROMOBENZYL)13DIMETHYL8((4METHYL4H124TRIAZOL3YL)SULFANYL)37DIHYDRO1HPURINE26DIONE
Brc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)Sc1nncn1C
CN1C=NN=C1SC2=NC3=C(N2CC4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C
InChI=1SC17H16BrN7O2Sc1229192116(22)2815201312(14(26)24(3)17(27)23(13)2)25(15)8104611(18)7510h479H8H213H3
MFCD02734345
STK048952
ZINC000000680572
ZINC00680572
ZINC680572
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