Vitas-M small molecule compound
6-chloro-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
Catalog ID
STK612190
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OCC(=C)C)Cl
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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 C27H29ClN2O5 MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O5/c1-17(2)16-34-25-15-24-21(13-23(25)28)18(3)22(27(32)35-24)14-26(31)30-11-9-29(10-12-30)19-5-7-20(33-4)8-6-19/h5-8,13,15H,1,9-12,14,16H2,2-4H3InChIKey
KGWWUGNEYYMZCQ-UHFFFAOYSA-NSynonyms
921116-79-26chloro3(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)4methyl7((2methylallyl)oxy)2Hchromen2one
6chloro3(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)4methyl7((2methylprop2en1yl)oxy)2Hchromen2one
6chloro3(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)4methyl7(2methylprop2enoxy)chromen2one
921116792
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=C)C)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC
InChI=1SC27H29ClN2O5c117(2)163425152421(1323(25)28)18(3)22(27(32)3524)1426(31)3011929(101230)195720(334)8619h581315H19121416H224H3
MFCD08748524
ZINC000009341328
ZINC09341328
ZINC9341328
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