Vitas-M small molecule compound

methyl 4-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]methyl}benzoate

Catalog ID
STK921069
SMILES COC(=O)c1ccc(cc1)COc1cc(C)cc2c1c1CCCc1c(=O)o2

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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 C22H20O5 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O5/c1-13-10-18(26-12-14-6-8-15(9-7-14)21(23)25-2)20-16-4-3-5-17(16)22(24)27-19(20)11-13/h6-11H,3-5,12H2,1-2H3
InChIKey
IQZUQZXNTFBYJB-UHFFFAOYSA-N
Synonyms
314744-38-2
314744382
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC4=CC=C(C=C4)C(=O)OC
InChI=1SC22H20O5c1131018(2612146815(9714)21(23)252)201643517(16)22(24)2719(20)1113h611H3512H212H3
methyl4(((7methyl4oxo1234tetrahydrocyclopenta(c)chromen9yl)oxy)methyl)benzoate
METHYL4((7METHYL4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN9YL)OXYMETHYL)BENZOATE
MFCD02059471
ZINC000004028168
ZINC04028168
ZINC4028168

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Available files

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