Vitas-M small molecule compound
3-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl}-7-hydroxy-4-methyl-2H-chromen-2-one
Catalog ID
STL235916
SMILES Oc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)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 C25H26N2O6 MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O6/c1-16-19-4-3-18(28)13-22(19)33-25(30)20(16)5-7-24(29)27-10-8-26(9-11-27)14-17-2-6-21-23(12-17)32-15-31-21/h2-4,6,12-13,28H,5,7-11,14-15H2,1H3InChIKey
KPELPDRTRNSHJL-UHFFFAOYSA-NSynonyms
929837-64-93(3(4(13benzodioxol5ylmethyl)piperazin1yl)3oxopropyl)7hydroxy4methyl2Hchromen2one
3(3(4(13benzodioxol5ylmethyl)piperazin1yl)3oxopropyl)7hydroxy4methylchromen2one
3(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)3oxopropyl)7hydroxy4methyl2Hchromen2one
929837649
CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC25H26N2O6c116194318(28)1322(19)3325(30)20(16)5724(29)2710826(91127)1417262123(1217)32153121h246121328H57111415H21H3
MFCD09846540
ZINC000020648378
ZINC20648378
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