Vitas-M small molecule compound
7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK766243
SMILES Brc1ccc(cc1)C(=O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC(C1)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 C21H24BrN5O3 MW 474.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrN5O3/c1-13-5-4-10-26(11-13)20-23-18-17(19(29)25(3)21(30)24(18)2)27(20)12-16(28)14-6-8-15(22)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3InChIKey
KVKIYZZTRGDIKH-UHFFFAOYSA-NSynonyms
7(2(4bromophenyl)2oxoethyl)13dimethyl8(3methylpiperidin1yl)1Hpurine26(3H7H)dione
7(2(4bromophenyl)2oxoethyl)13dimethyl8(3methylpiperidin1yl)37dihydro1Hpurine26dione
7(2(4BROMOPHENYL)2OXOETHYL)13DIMETHYL8(3METHYLPIPERIDIN1YL)PURINE26DIONE
CC1CCCN(C1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C
InChI=1SC21H24BrN5O3c113541026(1113)20231817(19(29)25(3)21(30)24(18)2)27(20)1216(28)146815(22)9714h6913H451012H213H3
MFCD02982410
ZINC000000717797
ZINC000000717798
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