Vitas-M small molecule compound

methyl 4-{[(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]amino}benzoate

Catalog ID
STK602795
SMILES COC(=O)c1ccc(cc1)NC(=O)Cc1c(=O)oc2c(c1C)c(OC)cc(c2)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 C22H21NO6 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6/c1-12-9-17(27-3)20-13(2)16(22(26)29-18(20)10-12)11-19(24)23-15-7-5-14(6-8-15)21(25)28-4/h5-10H,11H2,1-4H3,(H,23,24)
InChIKey
PBGCPJNIFQCMEX-UHFFFAOYSA-N
Synonyms
902331-25-3
902331253
CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC3=CC=C(C=C3)C(=O)OC)C)C(=C1)OC
InChI=1SC22H21NO6c112917(273)2013(2)16(22(26)2918(20)1012)1119(24)23157514(6815)21(25)284h510H11H214H3(H2324)
methyl4(((5methoxy47dimethyl2oxo2Hchromen3yl)acetyl)amino)benzoate
METHYL4((2(5METHOXY47DIMETHYL2OXOCHROMEN3YL)ACETYL)AMINO)BENZOATE
methyl4(2(5methoxy47dimethyl2oxo2Hchromen3yl)acetamido)benzoate
MFCD06789926
ZINC000006660707
ZINC06660707
ZINC6660707

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Available files

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