Vitas-M small molecule compound
7-ethyl-3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK074279
SMILES CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])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 C16H15N5O5S MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O5S/c1-3-20-12-13(19(2)15(24)18-14(12)23)17-16(20)27-8-11(22)9-4-6-10(7-5-9)21(25)26/h4-7H,3,8H2,1-2H3,(H,18,23,24)InChIKey
DRNJCCBZPNJXLB-UHFFFAOYSA-NSynonyms
303971-14-4303971144
7ETHYL3METHYL8((2(4NITROPHENYL)2OXOETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7ETHYL3METHYL8((2(4NITROPHENYL)2OXOETHYL)THIO)1HPURINE26(3H7H)DIONE
7ETHYL3METHYL8(2(4NITROPHENYL)2OXOETHYL)SULFANYLPURINE26DIONE
7ETHYL3METHYL8(2(4NITROPHENYL)2OXOETHYLTHIO)137TRIHYDROPURINE26DIONE
CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C
CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC16H15N5O5Sc13201213(19(2)15(24)1814(12)23)1716(20)27811(22)94610(759)21(25)26h47H38H212H3(H182324)
MFCD01185878
STK074279
ZINC000001882402
ZINC01882402
ZINC1882402
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