Vitas-M small molecule compound
8-[(2-chlorobenzyl)sulfanyl]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK806229
SMILES Cc1cccc(c1)Cn1c(SCc2ccccc2Cl)nc2c1c(=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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-13-6-5-7-14(10-13)11-26-17-18(25(2)20(28)24-19(17)27)23-21(26)29-12-15-8-3-4-9-16(15)22/h3-10H,11-12H2,1-2H3,(H,24,27,28)InChIKey
AOCHUNQIEDKKDL-UHFFFAOYSA-NSynonyms
303973-18-4303973184
8((2chlorobenzyl)sulfanyl)3methyl7(3methylbenzyl)37dihydro1Hpurine26dione
8((2chlorobenzyl)thio)3methyl7(3methylbenzyl)1Hpurine26(3H7H)dione
8((2CHLOROPHENYL)METHYLSULFANYL)3METHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8((2CHLOROPHENYL)METHYLTHIO)3METHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=CC=CC=C4Cl)N(C(=O)NC3=O)C
Cc1cccc(c1)Cn1c(SCc2ccccc2Cl)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC21H19ClN4O2Sc11365714(1013)11261718(25(2)20(28)2419(17)27)2321(26)291215834916(15)22h310H1112H212H3(H242728)
MFCD01186400
ZINC000000678144
ZINC00678144
ZINC678144
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