Vitas-M small molecule compound
7-(3-bromobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK676162
SMILES CCCCCCCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C
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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 C21H27BrN4O2S MW 479.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27BrN4O2S/c1-3-4-5-6-7-8-12-29-21-23-18-17(19(27)24-20(28)25(18)2)26(21)14-15-10-9-11-16(22)13-15/h9-11,13H,3-8,12,14H2,1-2H3,(H,24,27,28)InChIKey
NMZUGOFYXPZJRW-UHFFFAOYSA-NSynonyms
7((3BROMOPHENYL)METHYL)3METHYL8OCTYLSULFANYLPURINE26DIONE
7(3bromobenzyl)3methyl8(octylsulfanyl)37dihydro1Hpurine26dione
7(3BROMOBENZYL)3METHYL8OCTYLSULFANYL37DIHYDROPURINE26DIONE
CCCCCCCCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C
CCCCCCCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C
InChI=1SC21H27BrN4O2Sc1345678122921231817(19(27)2420(28)25(18)2)26(21)14151091116(22)1315h91113H381214H212H3(H242728)
MFCD01012710
ZINC000008435261
ZINC08435261
ZINC8435261
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