Vitas-M small molecule compound
8-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-3-methyl-2-phenyl-4H-chromen-4-one
Catalog ID
STL240768
SMILES O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C29H26N2O5 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O5/c1-19-26(32)22-8-5-9-23(28(22)36-27(19)21-6-3-2-4-7-21)29(33)31-14-12-30(13-15-31)17-20-10-11-24-25(16-20)35-18-34-24/h2-11,16H,12-15,17-18H2,1H3InChIKey
SMPOIACLPDSGRK-UHFFFAOYSA-NSynonyms
921083-31-08((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)3methyl2phenyl4Hchromen4one
8(4(13benzodioxol5ylmethyl)piperazine1carbonyl)3methyl2phenylchromen4one
8(4(benzo(d)(13)dioxol5ylmethyl)piperazine1carbonyl)3methyl2phenyl4Hchromen4one
921083310
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6
InChI=1SC29H26N2O5c11926(32)2285923(28(22)3627(19)216324721)29(33)31141230(131531)172010112425(1620)35183424h21116H12151718H21H3
MFCD08745834
ZINC000020621861
ZINC20621861
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