Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-cyanobut-2-enamide
Catalog ID
STK837340
SMILES N#C/C(=C(\Nc1ccc2c(c1)OCO2)/C)/C(=O)N
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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 C12H11N3O3 MW 245.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O3/c1-7(9(5-13)12(14)16)15-8-2-3-10-11(4-8)18-6-17-10/h2-4,15H,6H2,1H3,(H2,14,16)/b9-7+InChIKey
QWPOHXXNEJLSMH-VQHVLOKHSA-NSynonyms
(2E)3(13benzodioxol5ylamino)2cyanobut2enamide
(E)3(13BENZODIOXOL5YLAMINO)2CYANOBUT2ENAMIDE
(E)3(benzo(d)(13)dioxol5ylamino)2cyanobut2enamide
CC(=C(C#N)C(=O)N)NC1=CC2=C(C=C1)OCO2
InChI=1SC12H11N3O3c17(9(513)12(14)16)158231011(48)1861710h2415H6H21H3(H21416)b97+
MFCD02164104
N#CC(=C(Nc1ccc2c(c1)OCO2)C)C(=O)N
ZINC000000448166
ZINC00448166
ZINC448166
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