Vitas-M small molecule compound

methyl 4-({[(8-chloro-7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl]amino}methyl)benzoate

Catalog ID
STK611859
SMILES COC(=O)c1ccc(cc1)CNCc1c(O)c(Cl)cc2c1oc(=O)c1c2CCC1

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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 C22H20ClNO5 MW 413.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO5/c1-28-21(26)13-7-5-12(6-8-13)10-24-11-17-19(25)18(23)9-16-14-3-2-4-15(14)22(27)29-20(16)17/h5-9,24-25H,2-4,10-11H2,1H3
InChIKey
MHBWHCNMTCBICI-UHFFFAOYSA-N
Synonyms
903191-01-5
903191015
COC(=O)C1=CC=C(C=C1)CNCC2=C3C(=CC(=C2O)Cl)C4=C(CCC4)C(=O)O3
InChI=1SC22H20ClNO5c12821(26)137512(6813)1024111719(25)18(23)9161432415(14)22(27)2920(16)17h592425H241011H21H3
methyl4((((8chloro7hydroxy4oxo1234tetrahydrocyclopenta(c)chromen6yl)methyl)amino)methyl)benzoate
METHYL4(((8CHLORO7HYDROXY4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN6YL)METHYLAMINO)METHYL)BENZOATE
MFCD08290702
ZINC000020589991
ZINC20589991

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Available files

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