Vitas-M small molecule compound
4-{[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl}-6-ethyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK592334
SMILES CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(CC1)c1cccc(c1)Cl
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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 C22H23ClN2O3 MW 398.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O3/c1-2-15-10-19-16(11-22(27)28-21(19)13-20(15)26)14-24-6-8-25(9-7-24)18-5-3-4-17(23)12-18/h3-5,10-13,26H,2,6-9,14H2,1H3InChIKey
QXIABOAPIVZMMZ-UHFFFAOYSA-NSynonyms
849533-03-54((4(3chlorophenyl)piperazin1ium1yl)methyl)6ethyl2oxo2Hchromen7olate
4((4(3chlorophenyl)piperazin1ium1yl)methyl)6ethyl2oxochromen7olate
CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C(NH+)3CCN(CC3)C4=CC(=CC=C4)Cl)(O)
CCc1cc2c(cc1(O))oc(=O)cc2C(NH+)1CCN(CC1)c1cccc(c1)Cl
InChI=1SC22H23ClN2O3c1215101916(1122(27)2821(19)1320(15)26)14246825(9724)1853417(23)1218h35101326H26914H21H3
MFCD06774196
ZINC000054147553
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