Vitas-M small molecule compound
7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK039589
SMILES C/C(=C\CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C)/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 C17H16Cl2N4O2S MW 411.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16Cl2N4O2S/c1-10(18)7-8-26-17-20-14-13(15(24)21-16(25)22(14)2)23(17)9-11-3-5-12(19)6-4-11/h3-7H,8-9H2,1-2H3,(H,21,24,25)/b10-7+InChIKey
JJHSEVKOQRTZBD-JXMROGBWSA-NSynonyms
316360-40-4(E)7(4chlorobenzyl)8((3chlorobut2en1yl)thio)3methyl1Hpurine26(3H7H)dione
316360404
7(4CHLOROBENZYL)8(((2E)3CHLOROBUT2EN1YL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
8((E)3CHLOROBUT2ENYL)SULFANYL7((4CHLOROPHENYL)METHYL)3METHYLPURINE26DIONE
CC(=CCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C)Cl
CC(=CCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C)Cl
InChI=1SC17H16Cl2N4O2Sc110(18)782617201413(15(24)2116(25)22(14)2)23(17)9113512(19)6411h37H89H212H3(H212425)b107+
MFCD01557465
STK039589
ZINC000013739362
ZINC13739362
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