Vitas-M small molecule compound

4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-5-olate

Catalog ID
STK595023
SMILES Cc1cc([O-])c2c(c1)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 C23H24N2O5 MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O5/c1-15-8-18(26)23-17(11-22(27)30-21(23)9-15)13-25-6-4-24(5-7-25)12-16-2-3-19-20(10-16)29-14-28-19/h2-3,8-11,26H,4-7,12-14H2,1H3
InChIKey
PFVXJWHXGXHXBK-UHFFFAOYSA-N
Synonyms
896816-22-1
4((4(13benzodioxol5ylmethyl)piperazin1ium1yl)methyl)7methyl2oxo2Hchromen5olate
4((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)5HYDROXY7METHYLCHROMEN2ONE
4((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)METHYL)5HYDROXY7METHYLCHROMEN2ONE
4((4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)5HYDROXY7METHYL2HCHROMEN2ONE
CC1=CC2=C(C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=C1)O
Cc1cc((O))c2c(c1)oc(=O)cc2C(NH+)1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC23H24N2O5c115818(26)2317(1122(27)3021(23)915)13256424(5725)1216231920(1016)29142819h2381126H471214H21H3
MFCD06596846
ZINC000020412545
ZINC20412545

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Available files

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