Vitas-M small molecule compound
4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6-chloro-2H-chromen-2-one
Catalog ID
STK578712
SMILES Clc1ccc2c(c1)c(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(=O)o2
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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 C22H21ClN2O4 MW 412.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O4/c23-17-2-4-19-18(11-17)16(10-22(26)29-19)13-25-7-5-24(6-8-25)12-15-1-3-20-21(9-15)28-14-27-20/h1-4,9-11H,5-8,12-14H2InChIKey
MJCMQAJJCWODLM-UHFFFAOYSA-NSynonyms
902018-15-94((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)6chloro2Hchromen2one
4((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)6CHLOROCHROMEN2ONE
4((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)METHYL)6CHLOROCHROMEN2ONE
4((4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)METHYL)6CHLORO2HCHROMEN2ONE
902018159
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=C4C=C(C=C5)Cl
InChI=1SC22H21ClN2O4c2317241918(1117)16(1022(26)2919)13257524(6825)1215132021(915)28142720h14911H581214H2
MFCD06781958
ZINC000020547833
ZINC20547833
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