Vitas-M small molecule compound

6-hydroxy-3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7-(2-phenylethyl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STK642108
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc2c(n1CCc1ccccc1)c(O)nc(=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 C22H19N5O5S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5S/c1-25-19-18(20(29)24-21(25)30)26(12-11-14-5-3-2-4-6-14)22(23-19)33-13-17(28)15-7-9-16(10-8-15)27(31)32/h2-10H,11-13H2,1H3,(H,24,29,30)
InChIKey
ZOOCXPUAGVFXSO-UHFFFAOYSA-N
Synonyms
303969-40-6
303969406
3methyl8(2(4nitrophenyl)2oxoethyl)sulfanyl7(2phenylethyl)purine26dione
3METHYL8(2(4NITROPHENYL)2OXOETHYL)SULFANYL7PHENETHYLPURINE26DIONE
6hydroxy3methyl8((2(4nitrophenyl)2oxoethyl)sulfanyl)7(2phenylethyl)37dihydro2Hpurin2one
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))CCC4=CC=CC=C4
InChI=1SC22H19N5O5Sc1251918(20(29)2421(25)30)26(1211145324614)22(2319)331317(28)157916(10815)27(31)32h210H1113H21H3(H242930)
MFCD18162870
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nc2c(n1CCc1ccccc1)c(O)nc(=O)n2C
ZINC000006444883
ZINC06444883
ZINC6444883

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Available files

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