Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2-nitrophenyl)prop-2-enamide
Catalog ID
STK401832
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1ccccc1[N+](=O)[O-]
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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 C17H11N3O5 MW 337.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O5/c18-9-12(7-11-5-6-15-16(8-11)25-10-24-15)17(21)19-13-3-1-2-4-14(13)20(22)23/h1-8H,10H2,(H,19,21)/b12-7+InChIKey
SYVPKSIEUVKBBQ-KPKJPENVSA-NSynonyms
(2E)3(13benzodioxol5yl)2cyanoN(2nitrophenyl)prop2enamide
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)2CYANON(2NITROPHENYL)PROP2ENAMIDE
(E)3(13benzodioxol5yl)2cyanoN(2nitrophenyl)prop2enamide
C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC17H11N3O5c18912(711561516(811)25102415)17(21)1913312414(13)20(22)23h18H10H2(H1921)b127+
MFCD04057484
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1(N+)(=O)(O)
ZINC000017070839
ZINC17070839
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