Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)amino]prop-2-en-1-one
Catalog ID
STK902274
SMILES Clc1cccc(c1)N/C=C/C(=O)c1ccc2c(c1)OCO2
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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 C16H12ClNO3 MW 301.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClNO3/c17-12-2-1-3-13(9-12)18-7-6-14(19)11-4-5-15-16(8-11)21-10-20-15/h1-9,18H,10H2/b7-6+InChIKey
UCXNPTWCTRQKKF-VOTSOKGWSA-NSynonyms
(2E)1(13benzodioxol5yl)3((3chlorophenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(3chloroanilino)prop2en1one
C1OC2=C(O1)C=C(C=C2)C(=O)C=CNC3=CC(=CC=C3)Cl
Clc1cccc(c1)NC=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC16H12ClNO3c171221313(912)187614(19)11451516(811)21102015h1918H10H2b76+
MFCD18174800
ZINC000044842621
ZINC44842621
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