Vitas-M small molecule compound

(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-cyclopropylprop-2-enamide

Catalog ID
STK422799
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)NC1CC1

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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 C14H11ClN2O3 MW 290.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClN2O3/c15-11-5-13-12(19-7-20-13)4-8(11)3-9(6-16)14(18)17-10-1-2-10/h3-5,10H,1-2,7H2,(H,17,18)/b9-3+
InChIKey
KYYGVUKHTSQAFK-YCRREMRBSA-N
Synonyms

(2E)3(6CHLORO(2HBENZO(D)13DIOXOLEN5YL))2CYANONCYCLOPROPYLPROP2ENAMIDE
(2E)3(6chloro13benzodioxol5yl)2cyanoNcyclopropylprop2enamide
(E)3(6CHLORO13BENZODIOXOL5YL)2CYANONCYCLOPROPYLPROP2ENAMIDE
C1CC1NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N
InChI=1SC14H11ClN2O3c151151312(1972013)48(11)39(616)14(18)17101210h3510H127H2(H1718)b93+
MFCD02176451
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)NC1CC1
ZINC000002759232
ZINC02759232
ZINC2759232

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Available files

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