Vitas-M small molecule compound
7-(3-bromobenzyl)-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK835054
SMILES ClCC(CSc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C)O
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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 C16H16BrClN4O3S MW 459.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrClN4O3S/c1-21-13-12(14(24)20-15(21)25)22(7-9-3-2-4-10(17)5-9)16(19-13)26-8-11(23)6-18/h2-5,11,23H,6-8H2,1H3,(H,20,24,25)InChIKey
WGDNZPCRCUVXSE-UHFFFAOYSA-NSynonyms
328070-78-6328070786
7((3BROMOPHENYL)METHYL)8(3CHLORO2HYDROXYPROPYL)SULFANYL3METHYLPURINE26DIONE
7((3BROMOPHENYL)METHYL)8(3CHLORO2HYDROXYPROPYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7(3bromobenzyl)8((3chloro2hydroxypropyl)sulfanyl)3methyl37dihydro1Hpurine26dione
7(3bromobenzyl)8((3chloro2hydroxypropyl)thio)3methyl1Hpurine26(3H7H)dione
ClCC(CSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C)O
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CC3=CC(=CC=C3)Br
InChI=1SC16H16BrClN4O3Sc1211312(14(24)2015(21)25)22(7932410(17)59)16(1913)26811(23)618h251123H68H21H3(H202425)
MFCD01079266
ZINC000000655593
ZINC000000655595
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