Vitas-M small molecule compound

3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methoxy-4,8,8-trimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-one

Catalog ID
STK621585
SMILES COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)N1CCN(CC1)c1ccc(cc1)F)c(=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 C28H31FN2O5 MW 494.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31FN2O5/c1-17-21(15-24(32)31-13-11-30(12-14-31)19-7-5-18(29)6-8-19)27(33)35-26-20-9-10-28(2,3)36-22(20)16-23(34-4)25(17)26/h5-8,16H,9-15H2,1-4H3
InChIKey
CGFMXEZTZXHJSD-UHFFFAOYSA-N
Synonyms
1014407-99-8
1014407998
3(2(4(4fluorophenyl)piperazin1yl)2oxoethyl)5methoxy488trimethyl910dihydro2H8Hpyrano(23f)chromen2one
3(2(4(4fluorophenyl)piperazin1yl)2oxoethyl)5methoxy488trimethyl910dihydropyrano(23f)chromen2(8H)one
3(2(4(4fluorophenyl)piperazin1yl)2oxoethyl)5methoxy488trimethyl910dihydropyrano(23h)chromen2one
CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OC)(C)C)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)F
InChI=1SC28H31FN2O5c11721(1524(32)31131130(121431)197518(29)6819)27(33)35262091028(23)3622(20)1623(344)25(17)26h5816H915H214H3
ZINC000013689206
ZINC13689206

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Available files

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