Vitas-M small molecule compound
1-[3-nitro-4-(7H-purin-6-ylsulfanyl)phenyl]ethanone
Catalog ID
STK922117
SMILES [O-][N+](=O)c1cc(ccc1Sc1ncnc2c1[nH]cn2)C(=O)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 C13H9N5O3S MW 315.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O3S/c1-7(19)8-2-3-10(9(4-8)18(20)21)22-13-11-12(15-5-14-11)16-6-17-13/h2-6H,1H3,(H,14,15,16,17)InChIKey
BRICJJRUWHOVBA-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1Sc1ncnc2c1(nH)cn2)C(=O)C
1(3nitro4(7Hpurin6ylsulfanyl)phenyl)ethanone
1ACETYL3NITRO4PURIN6YLTHIOBENZENE
CC(=O)C1=CC(=C(C=C1)SC2=NC=NC3=C2NC=N3)(N+)(=O)(O)
InChI=1SC13H9N5O3Sc17(19)82310(9(48)18(20)21)22131112(1551411)1661713h26H1H3(H14151617)
MFCD09760705
ZINC000012249786
ZINC12249786
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