Vitas-M small molecule compound

8-bromo-7-(4-chlorobenzyl)-1-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK039954
SMILES C/C(=C/Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc(cc1)Cl)c(n2)Br)/Cl

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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 C17H15BrCl2N4O2 MW 458.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrCl2N4O2/c1-10(19)7-8-23-15(25)13-14(22(2)17(23)26)21-16(18)24(13)9-11-3-5-12(20)6-4-11/h3-7H,8-9H2,1-2H3/b10-7-
InChIKey
JZFDSCTUJVXKHP-YFHOEESVSA-N
Synonyms
304879-52-5
(Z)8bromo7(4chlorobenzyl)1(3chlorobut2en1yl)3methyl1Hpurine26(3H7H)dione
304879525
8BROMO1((Z)3CHLOROBUT2ENYL)7((4CHLOROPHENYL)METHYL)3METHYLPURINE26DIONE
8BROMO7(4CHLOROBENZYL)1((2Z)3CHLOROBUT2EN1YL)3METHYL37DIHYDRO1HPURINE26DIONE
CC(=CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)Cl)Br)N(C1=O)C)Cl
CC(=CCn1c(=O)n(C)c2c(c1=O)n(Cc1ccc(cc1)Cl)c(n2)Br)Cl
InChI=1SC17H15BrCl2N4O2c110(19)782315(25)1314(22(2)17(23)26)2116(18)24(13)9113512(20)6411h37H89H212H3b107
MFCD01553523
STK039954
ZINC000000821023
ZINC00821023
ZINC821023

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Available files

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