Vitas-M small molecule compound

8-[(3-bromobenzyl)sulfanyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK015907
SMILES Brc1cccc(c1)CSc1nc2c(n1CC(COc1ccccc1)O)c(=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 C22H21BrN4O4S MW 517.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O4S/c1-26-19-18(20(29)25-21(26)30)27(11-16(28)12-31-17-8-3-2-4-9-17)22(24-19)32-13-14-6-5-7-15(23)10-14/h2-10,16,28H,11-13H2,1H3,(H,25,29,30)
InChIKey
DDMMYGWTUDYRNI-UHFFFAOYSA-N
Synonyms
326919-09-9
326919099
8((3BROMOBENZYL)SULFANYL)7(2HYDROXY3PHENOXYPROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
8((3bromobenzyl)thio)7(2hydroxy3phenoxypropyl)3methyl1Hpurine26(3H7H)dione
8((3BROMOPHENYL)METHYLSULFANYL)7(2HYDROXY3PHENOXYPROPYL)3METHYLPURINE26DIONE
8((3BROMOPHENYL)METHYLTHIO)7(2HYDROXY3PHENOXYPROPYL)3METHYL137TRIHYDROPURINE26DIONE
Brc1cccc(c1)CSc1nc2c(n1CC(COc1ccccc1)O)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC(=CC=C3)Br)CC(COC4=CC=CC=C4)O
InChI=1SC22H21BrN4O4Sc1261918(20(29)2521(26)30)27(1116(28)1231178324917)22(2419)32131465715(23)1014h2101628H1113H21H3(H252930)
MFCD01079313
STK015907
ZINC000000632681
ZINC000000829848

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Available files

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