Vitas-M small molecule compound

1-[(1E)-3-(morpholin-4-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-one

Catalog ID
STK025168
SMILES O=C(/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/n1ccccc1=O)N1CCOCC1

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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 C19H17N3O7 MW 399.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O7/c23-18-3-1-2-4-21(18)15(19(24)20-5-7-27-8-6-20)9-13-10-16-17(29-12-28-16)11-14(13)22(25)26/h1-4,9-11H,5-8,12H2/b15-9+
InChIKey
NRKAOQGFRSUPMV-OQLLNIDSSA-N
Synonyms

1((1E)3(MORPHOLIN4YL)1(6NITRO13BENZODIOXOL5YL)3OXOPROP1EN2YL)PYRIDIN2(1H)ONE
1((E)3MORPHOLIN4YL1(6NITRO13BENZODIOXOL5YL)3OXOPROP1EN2YL)PYRIDIN2ONE
C1COCCN1C(=O)C(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)N4C=CC=CC4=O
InChI=1SC19H17N3O7c2318312421(18)15(19(24)2057278620)913101617(29122816)1114(13)22(25)26h14911H5812H2b159+
MFCD08050021
O=C(C(=Cc1cc2OCOc2cc1(N+)(=O)(O))n1ccccc1=O)N1CCOCC1
STK025168
ZINC000004592126
ZINC04592126
ZINC4592126

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Available files

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