Vitas-M small molecule compound

methyl 2-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

Catalog ID
STL419280
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C(=O)CCC2

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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 C25H25NO6 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO6/c1-29-20-13-16(11-12-18(20)31-14-15-7-4-3-5-8-15)21-22-17(27)9-6-10-19(22)32-24(26)23(21)25(28)30-2/h3-5,7-8,11-13,21H,6,9-10,14,26H2,1-2H3
InChIKey
VZEZEMYEROMHNG-UHFFFAOYSA-N
Synonyms

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)OCC4=CC=CC=C4
InChI=1SC25H25NO6c129201316(111218(20)3114157435815)212217(27)961019(22)3224(26)23(21)25(28)302h3578111321H69101426H212H3
methyl2amino4(3methoxy4phenylmethoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
methyl2amino4(4(benzyloxy)3methoxyphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
MFCD05239451
ZINC000000800380
ZINC000000800381

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Available files

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