Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-[(3-chloro-4-methoxyphenyl)amino]prop-2-en-1-one
Catalog ID
STK902309
SMILES COc1ccc(cc1Cl)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 C17H14ClNO4 MW 331.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClNO4/c1-21-15-5-3-12(9-13(15)18)19-7-6-14(20)11-2-4-16-17(8-11)23-10-22-16/h2-9,19H,10H2,1H3/b7-6+InChIKey
YCRXJLRTTQTYMQ-VOTSOKGWSA-NSynonyms
(2E)1(13benzodioxol5yl)3((3chloro4methoxyphenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(3chloro4methoxyanilino)prop2en1one
COC1=C(C=C(C=C1)NC=CC(=O)C2=CC3=C(C=C2)OCO3)Cl
COc1ccc(cc1Cl)NC=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC17H14ClNO4c121155312(913(15)18)197614(20)11241617(811)23102216h2919H10H21H3b76+
MFCD18174835
ZINC000044842787
ZINC44842787
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