Vitas-M small molecule compound

8-(benzylsulfanyl)-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK054396
SMILES Clc1ccc(cc1)Cn1c(SCc2ccccc2)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 C20H17ClN4O2S MW 412.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O2S/c1-24-17-16(18(26)23-19(24)27)25(11-13-7-9-15(21)10-8-13)20(22-17)28-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,26,27)
InChIKey
JMIPNHIXDRVTRO-UHFFFAOYSA-N
Synonyms
313470-82-5
313470825
8(BENZYLSULFANYL)7(4CHLOROBENZYL)3METHYL37DIHYDRO1HPURINE26DIONE
8(BENZYLTHIO)7(4CHLOROBENZYL)3METHYL1HPURINE26(3H7H)DIONE
8BENZYLSULFANYL7((4CHLOROPHENYL)METHYL)3METHYLPURINE26DIONE
8BENZYLSULFANYL7(4CHLOROBENZYL)3METHYL37DIHYDROPURINE26DIONE
Clc1ccc(cc1)Cn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl
InChI=1SC20H17ClN4O2Sc1241716(18(26)2319(24)27)25(11137915(21)10813)20(2217)2812145324614h210H1112H21H3(H232627)
MFCD01051141
STK054396
ZINC000000627165
ZINC00627165
ZINC627165

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Available files

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