Vitas-M small molecule compound

1-[3-(4-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one

Catalog ID
STL058938
SMILES CCC(=O)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])N1CCC2CC1

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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 C17H20N4O3 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O3/c1-2-14(22)20-16(12-3-5-13(6-4-12)21(23)24)17-15(18-20)11-7-9-19(17)10-8-11/h3-6,11,16-17H,2,7-10H2,1H3
InChIKey
SUQLDIGMLLWLIT-UHFFFAOYSA-N
Synonyms
6087-61-2
1(3(4nitrophenyl)33a67tetrahydro47ethanopyrazolo(43b)pyridin2(5H)yl)propan1one
6087612
CCC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC=C(C=C4)(N+)(=O)(O)
CCC(=O)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))N1CCC2CC1
InChI=1SC17H20N4O3c1214(22)2016(123513(6412)21(23)24)1715(1820)117919(17)10811h36111617H2710H21H3
MFCD02168008
ZINC000019498386
ZINC000019498389

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Available files

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