Vitas-M small molecule compound
2-[(2-chloro-4-fluorophenyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STL059642
SMILES O=C(Nc1ccc(cc1Cl)F)COC(=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 C16H11ClFNO5 MW 351.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClFNO5/c17-11-6-10(18)2-3-12(11)19-15(20)7-22-16(21)9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H,19,20)InChIKey
ZUDNWFNHMFYBPI-UHFFFAOYSA-NSynonyms
(2(2chloro4fluoroanilino)2oxoethyl)13benzodioxole5carboxylate
2((2chloro4fluorophenyl)amino)2oxoethyl13benzodioxole5carboxylate
C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl
InChI=1SC16H11ClFNO5c1711610(18)2312(11)1915(20)72216(21)9141314(59)2482313h16H78H2(H1920)
MFCD08215775
ZINC000010717338
ZINC10717338
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