Vitas-M small molecule compound
4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl}-6-ethyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK597895
SMILES CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(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 C24H26N2O5 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5/c1-2-17-10-19-18(11-24(28)31-22(19)12-20(17)27)14-26-7-5-25(6-8-26)13-16-3-4-21-23(9-16)30-15-29-21/h3-4,9-12,27H,2,5-8,13-15H2,1H3InChIKey
DHELFXMLOFNOAK-UHFFFAOYSA-NSynonyms
896806-48-74((4(13benzodioxol5ylmethyl)piperazin1ium1yl)methyl)6ethyl2oxo2Hchromen7olate
4((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)6ETHYL7HYDROXYCHROMEN2ONE
4((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)METHYL)6ETHYL7HYDROXYCHROMEN2ONE
4((4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)6ETHYL7HYDROXY2HCHROMEN2ONE
CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O
CCc1cc2c(cc1(O))oc(=O)cc2C(NH+)1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC24H26N2O5c1217101918(1124(28)3122(19)1220(17)27)14267525(6826)1316342123(916)30152921h3491227H2581315H21H3
MFCD06595046
ZINC000019370985
ZINC19370985
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