Vitas-M small molecule compound
(2E)-N-benzyl-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide
Catalog ID
STK415223
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)NCc1ccccc1
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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 C18H13ClN2O3 MW 340.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O3/c19-15-8-17-16(23-11-24-17)7-13(15)6-14(9-20)18(22)21-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H,21,22)/b14-6+InChIKey
GKVAUABHKOJYBT-MKMNVTDBSA-NSynonyms
(2E)3(6CHLORO(2HBENZO(D)13DIOXOLEN5YL))2CYANONBENZYLPROP2ENAMIDE
(2E)Nbenzyl3(6chloro13benzodioxol5yl)2cyanoprop2enamide
(E)NBENZYL3(6CHLORO13BENZODIOXOL5YL)2CYANOPROP2ENAMIDE
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3)Cl
InChI=1SC18H13ClN2O3c191581716(23112417)713(15)614(920)18(22)2110124213512h18H1011H2(H2122)b146+
MFCD02176795
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)NCc1ccccc1
ZINC000017071310
ZINC17071310
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