Vitas-M small molecule compound

methyl 4,5-dimethoxy-2-{[(7-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoate

Catalog ID
STK338201
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)C1OC(=O)c2c(C1)ccc(c2)C)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 C21H21NO7 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO7/c1-11-5-6-12-8-18(29-21(25)13(12)7-11)19(23)22-15-10-17(27-3)16(26-2)9-14(15)20(24)28-4/h5-7,9-10,18H,8H2,1-4H3,(H,22,23)
InChIKey
GUOFOXAADIGSNO-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(CC(OC2=O)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)C=C1
InChI=1SC21H21NO7c1115612818(2921(25)13(12)711)19(23)22151017(273)16(262)914(15)20(24)284h5791018H8H214H3(H2223)
methyl45dimethoxy2(((7methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzoate
methyl45dimethoxy2((7methyl1oxo34dihydroisochromene3carbonyl)amino)benzoate
METHYL45DIMETHOXY2((7METHYL1OXOISOCHROMAN3YL)CARBONYLAMINO)BENZOATE
MFCD07802206
ZINC000005032256
ZINC000005032262

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Available files

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