Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
Catalog ID
STL112950
SMILES COc1ccc(cc1Cl)NC(=O)/C=C/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/c1-21-14-6-4-12(9-13(14)18)19-17(20)7-3-11-2-5-15-16(8-11)23-10-22-15/h2-9H,10H2,1H3,(H,19,20)/b7-3+InChIKey
XQLXJVRGSIWWET-XVNBXDOJSA-NSynonyms
(2E)3(13benzodioxol5yl)N(3chloro4methoxyphenyl)prop2enamide
(E)3(13BENZODIOXOL5YL)N(3CHLORO4METHOXYPHENYL)PROP2ENAMIDE
COC1=C(C=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)Cl
COc1ccc(cc1Cl)NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC17H14ClNO4c121146412(913(14)18)1917(20)7311251516(811)23102215h29H10H21H3(H1920)b73+
MFCD02918948
ZINC000000453599
ZINC00453599
ZINC453599
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