Vitas-M small molecule compound

7-[(2-chloro-6-fluorobenzyl)oxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propyl-4H-chromen-4-one

Catalog ID
STK558274
SMILES CCCc1cc2c(cc1OCc1c(F)cccc1Cl)occ(c2=O)c1ccc2c(c1)OCCO2

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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 C27H22ClFO5 MW 480.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClFO5/c1-2-4-17-11-18-25(13-24(17)33-15-20-21(28)5-3-6-22(20)29)34-14-19(27(18)30)16-7-8-23-26(12-16)32-10-9-31-23/h3,5-8,11-14H,2,4,9-10,15H2,1H3
InChIKey
SMCYLULCSRCUJB-UHFFFAOYSA-N
Synonyms
586987-67-9
3(2H3HBENZO(34E)14DIOXAN6YL)7((2CHLORO6FLUOROPHENYL)METHOXY)6PROPYLCHROMEN4ONE
586987679
7((2chloro6fluorobenzyl)oxy)3(23dihydro14benzodioxin6yl)6propyl4Hchromen4one
7((2chloro6fluorobenzyl)oxy)3(23dihydrobenzo(b)(14)dioxin6yl)6propyl4Hchromen4one
7((2CHLORO6FLUOROPHENYL)METHOXY)3(23DIHYDRO14BENZODIOXIN6YL)6PROPYLCHROMEN4ONE
CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OCC5=C(C=CC=C5Cl)F
InChI=1SC27H22ClFO5c12417111825(1324(17)33152021(28)53622(20)29)341419(27(18)30)16782326(1216)321093123h3581114H2491015H21H3
MFCD04031095
ZINC000002394044
ZINC02394044
ZINC2394044

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Available files

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