Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
Catalog ID
STK067123
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl
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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 C17H10ClN3O5 MW 371.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10ClN3O5/c18-13-3-2-12(7-14(13)21(23)24)20-17(22)11(8-19)5-10-1-4-15-16(6-10)26-9-25-15/h1-7H,9H2,(H,20,22)/b11-5+InChIKey
UTEDAWBUUYJKRT-VZUCSPMQSA-NSynonyms
345240-23-5(2E)3(13BENZODIOXOL5YL)N(4CHLORO3NITROPHENYL)2CYANOPROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(4CHLORO3NITROPHENYL)2CYANOPROP2ENAMIDE
345240235
C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC17H10ClN3O5c18133212(714(13)21(23)24)2017(22)11(819)510141516(610)2692515h17H9H2(H2022)b115+
MFCD02608388
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(c(c1)(N+)(=O)(O))Cl
STK067123
ZINC000002773393
ZINC02773393
ZINC2773393
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