Vitas-M small molecule compound
1,4-dioxa-8-azaspiro[4.5]dec-8-yl[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone
Catalog ID
STL184271
SMILES O=C(c1cn[nH]c1c1ccc(cc1)[N+](=O)[O-])N1CCC2(CC1)OCCO2
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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 C17H18N4O5 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O5/c22-16(20-7-5-17(6-8-20)25-9-10-26-17)14-11-18-19-15(14)12-1-3-13(4-2-12)21(23)24/h1-4,11H,5-10H2,(H,18,19)InChIKey
FEOLBQDMMCCUPG-UHFFFAOYSA-NSynonyms
14dioxa8azaspiro(45)dec8yl(5(4nitrophenyl)1Hpyrazol4yl)methanone
14dioxa8azaspiro(45)decan8yl(5(4nitrophenyl)1Hpyrazol4yl)methanone
C1CN(CCC12OCCO2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC17H18N4O5c2216(207517(6820)259102617)1411181915(14)121313(4212)21(23)24h1411H510H2(H1819)
MFCD22386413
O=C(c1cn(nH)c1c1ccc(cc1)(N+)(=O)(O))N1CCC2(CC1)OCCO2
ZINC000072328736
ZINC72328736
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