Vitas-M small molecule compound

(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl morpholine-4-carboxylate

Catalog ID
STK924218
SMILES Brc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)N1CCOCC1

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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 C20H16BrNO5 MW 430.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO5/c21-14-3-1-13(2-4-14)11-18-19(23)16-6-5-15(12-17(16)27-18)26-20(24)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2/b18-11-
InChIKey
UNSPNEMKDHXKOH-WQRHYEAKSA-N
Synonyms
622794-89-2
((2Z)2((4BROMOPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)MORPHOLINE4CARBOXYLATE
(2Z)2(4bromobenzylidene)3oxo23dihydro1benzofuran6ylmorpholine4carboxylate
(Z)2(4bromobenzylidene)3oxo23dihydrobenzofuran6ylmorpholine4carboxylate
2((4BROMOPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLMORPHOLINE4CARBOXYLATE
622794892
Brc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2)OC(=O)N1CCOCC1
C1COCCN1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)Br)O3
InChI=1SC20H16BrNO5c21143113(2414)111819(23)166515(1217(16)2718)2620(24)22792510822h161112H710H2b1811
MFCD04175533
ZINC000011869393
ZINC11869393

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.