Vitas-M small molecule compound

methyl 4-{2-[4-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

Catalog ID
STK882940
SMILES COC(=O)C1Oc2ccccc2N(C1)C(=O)C(Oc1ccc(cc1)C(C)C)C

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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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-14(2)16-9-11-17(12-10-16)27-15(3)21(24)23-13-20(22(25)26-4)28-19-8-6-5-7-18(19)23/h5-12,14-15,20H,13H2,1-4H3
InChIKey
ISNQHFJDAYWQTD-UHFFFAOYSA-N
Synonyms
879952-04-2
879952042
CC(C)C1=CC=C(C=C1)OC(C)C(=O)N2CC(OC3=CC=CC=C32)C(=O)OC
InChI=1SC22H25NO5c114(2)1691117(121016)2715(3)21(24)231320(22(25)264)2819865718(19)23h512141520H13H214H3
methyl4(2(4(propan2yl)phenoxy)propanoyl)34dihydro2H14benzoxazine2carboxylate
METHYL4(2(4ISOPROPYLPHENOXY)PROPANOYL)34DIHYDRO2H14BENZOXAZINE2CARBOXYLATE
methyl4(2(4propan2ylphenoxy)propanoyl)23dihydro14benzoxazine2carboxylate
MFCD06646549
ZINC000006810868
ZINC000006810871

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Available files

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