Vitas-M small molecule compound

1,3,7-trimethyl-8-[(3-nitrobenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL336653
SMILES [O-][N+](=O)c1cccc(c1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

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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 C15H15N5O4S MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N5O4S/c1-17-11-12(18(2)15(22)19(3)13(11)21)16-14(17)25-8-9-5-4-6-10(7-9)20(23)24/h4-7H,8H2,1-3H3
InChIKey
CAWFGPKQOSNPHT-UHFFFAOYSA-N
Synonyms
346579-25-7
(O)(N+)(=O)c1cccc(c1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C
137trimethyl8((3nitrobenzyl)sulfanyl)37dihydro1Hpurine26dione
137trimethyl8((3nitrobenzyl)thio)1Hpurine26(3H7H)dione
137TRIMETHYL8((3NITROPHENYL)METHYLSULFANYL)PURINE26DIONE
346579257
CN1C2=C(N=C1SCC3=CC(=CC=C3)(N+)(=O)(O))N(C(=O)N(C2=O)C)C
InChI=1SC15H15N5O4Sc1171112(18(2)15(22)19(3)13(11)21)1614(17)258954610(79)20(23)24h47H8H213H3
MFCD01603816
ZINC000013647316
ZINC13647316

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Available files

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