Vitas-M small molecule compound

1-(3-nitrophenyl)-2-(9H-purin-6-ylsulfanyl)ethanone

Catalog ID
STK727133
SMILES O=C(c1cccc(c1)[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(8-2-1-3-9(4-8)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
KLEVHZCVRNHZSM-UHFFFAOYSA-N
Synonyms

1(3NITROPHENYL)2(7HPURIN6YLSULFANYL)ETHANONE
1(3nitrophenyl)2(9Hpurin6ylsulfanyl)ethanone
1(3NITROPHENYL)2PURIN6YLTHIOETHAN1ONE
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)CSC2=NC=NC3=C2NC=N3
InChI=1SC13H9N5O3Sc1910(82139(48)18(20)21)522131112(1561411)1671713h1467H5H2(H14151617)
MFCD00517550
O=C(c1cccc(c1)(N+)(=O)(O))CSc1ncnc2c1nc(nH)2
ZINC000000036757
ZINC00036757
ZINC36757

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Available files

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