Vitas-M small molecule compound
1-(4-nitrophenyl)-2-(9H-purin-6-ylsulfanyl)ethanone
Catalog ID
STK235859
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1ncnc2c1nc[nH]2
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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 C13H9N5O3S MW 315.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O3S/c19-10(8-1-3-9(4-2-8)18(20)21)5-22-13-11-12(15-6-14-11)16-7-17-13/h1-4,6-7H,5H2,(H,14,15,16,17)InChIKey
CRBPODSPLROFQW-UHFFFAOYSA-NSynonyms
80985-24-61(4NITROPHENYL)2(7HPURIN6YLSULFANYL)ETHANONE
1(4nitrophenyl)2(9Hpurin6ylsulfanyl)ethanone
2((9Hpurin6yl)thio)1(4nitrophenyl)ethanone
80985246
C1=CC(=CC=C1C(=O)CSC2=NC=NC3=C2NC=N3)(N+)(=O)(O)
InChI=1SC13H9N5O3Sc1910(8139(428)18(20)21)522131112(1561411)1671713h1467H5H2(H14151617)
MFCD02997404
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1ncnc2c1nc(nH)2
ZINC000018223231
ZINC18223231
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