Vitas-M small molecule compound
3-(2-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
Catalog ID
STK606398
SMILES Oc1cc(O)c2c(c1)oc(=O)c(c2C)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
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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 C29H26F2N2O5 MW 520.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F2N2O5/c1-17-23(29(37)38-25-15-22(34)14-24(35)27(17)25)16-26(36)32-10-12-33(13-11-32)28(18-2-6-20(30)7-3-18)19-4-8-21(31)9-5-19/h2-9,14-15,28,34-35H,10-13,16H2,1H3InChIKey
XYPGMQJNFJOQEY-UHFFFAOYSA-NSynonyms
903856-11-13(2(4(bis(4fluorophenyl)methyl)piperazin1yl)2oxoethyl)57dihydroxy4methyl2Hchromen2one
3(2(4(bis(4fluorophenyl)methyl)piperazin1yl)2oxoethyl)57dihydroxy4methylchromen2one
903856111
CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI=1SC29H26F2N2O5c11723(29(37)38251522(34)1424(35)27(17)25)1626(36)32101233(131132)28(182620(30)7318)194821(31)9519h291415283435H101316H21H3
MFCD08286679
ZINC000020573445
ZINC20573445
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