Vitas-M small molecule compound
(2E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
Catalog ID
STK462166
SMILES N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/C(=O)NCc1ccccn1
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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 C17H12N4O5 MW 352.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O5/c18-8-12(17(22)20-9-13-3-1-2-4-19-13)5-11-6-15-16(26-10-25-15)7-14(11)21(23)24/h1-7H,9-10H2,(H,20,22)/b12-5+InChIKey
LLSXUHXJXSNPPY-LFYBBSHMSA-NSynonyms
(2E)2CYANO3(6NITRO(2HBENZO(D)13DIOXOLAN5YL))N(2PYRIDYLMETHYL)PROP2ENAMIDE
(2E)2cyano3(6nitro13benzodioxol5yl)N(pyridin2ylmethyl)prop2enamide
(E)2cyano3(6nitro13benzodioxol5yl)N(pyridin2ylmethyl)prop2enamide
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCC3=CC=CC=N3)(N+)(=O)(O)
InChI=1SC17H12N4O5c18812(17(22)2091331241913)51161516(26102515)714(11)21(23)24h17H910H2(H2022)b125+
MFCD04255424
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))C(=O)NCc1ccccn1
ZINC000006644607
ZINC06644607
ZINC6644607
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