Vitas-M small molecule compound

8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK000940
SMILES Clc1ccc(cc1)C(=O)CSc1nc2c(n1CCc1ccccc1)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 C22H19ClN4O3S MW 454.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O3S/c1-26-19-18(20(29)25-21(26)30)27(12-11-14-5-3-2-4-6-14)22(24-19)31-13-17(28)15-7-9-16(23)10-8-15/h2-10H,11-13H2,1H3,(H,25,29,30)
InChIKey
DLUQRAVVFPEMSF-UHFFFAOYSA-N
Synonyms
303969-42-8
303969428
8((2(4CHLOROPHENYL)2OXOETHYL)SULFANYL)3METHYL7(2PHENYLETHYL)37DIHYDRO1HPURINE26DIONE
8((2(4CHLOROPHENYL)2OXOETHYL)THIO)3METHYL7PHENETHYL1HPURINE26(3H7H)DIONE
8(2(4chlorophenyl)2oxoethyl)sulfanyl3methyl7(2phenylethyl)purine26dione
8(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL3METHYL7PHENETHYLPURINE26DIONE
8(2(4CHLOROPHENYL)2OXOETHYLTHIO)3METHYL7(2PHENYLETHYL)137TRIHYDROPURINE26DIONE
Clc1ccc(cc1)C(=O)CSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4
InChI=1SC22H19ClN4O3Sc1261918(20(29)2521(26)30)27(1211145324614)22(2419)311317(28)157916(23)10815h210H1113H21H3(H252930)
MFCD01142781
STK000940
ZINC000000827963
ZINC00827963
ZINC827963

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Available files

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