Vitas-M small molecule compound

2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl morpholine-4-carboxylate

Catalog ID
STK991993
SMILES COc1cc(ccc1OC(=O)N1CCOCC1)/C=C/1\Oc2c(C1=O)ccc(c2)OC

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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 C22H21NO7 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO7/c1-26-15-4-5-16-18(13-15)29-20(21(16)24)12-14-3-6-17(19(11-14)27-2)30-22(25)23-7-9-28-10-8-23/h3-6,11-13H,7-10H2,1-2H3/b20-12-
InChIKey
NFUIEMPCBAMWRG-NDENLUEZSA-N
Synonyms
869078-83-1
(2METHOXY4((Z)(6METHOXY3OXO1BENZOFURAN2YLIDENE)METHYL)PHENYL)MORPHOLINE4CARBOXYLATE
(Z)2methoxy4((6methoxy3oxobenzofuran2(3H)ylidene)methyl)phenylmorpholine4carboxylate
2METHOXY4((6METHOXY3OXOBENZO(D)FURAN2YLIDENE)METHYL)PHENYLMORPHOLINE4CARBOXYLATE
2methoxy4((Z)(6methoxy3oxo1benzofuran2(3H)ylidene)methyl)phenylmorpholine4carboxylate
869078831
COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)OC(=O)N4CCOCC4)OC)O2
COc1cc(ccc1OC(=O)N1CCOCC1)C=C1Oc2c(C1=O)ccc(c2)OC
InChI=1SC22H21NO7c12615451618(1315)2920(21(16)24)12143617(19(1114)272)3022(25)23792810823h361113H710H212H3b2012
MFCD06737488
ZINC000004478787
ZINC04478787
ZINC4478787

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Available files

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