Vitas-M small molecule compound
3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-6-bromo-8-methoxy-2H-chromen-2-one
Catalog ID
STK779911
SMILES COc1cc(Br)cc2c1oc(=O)c(c2)C(=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 C23H21BrN2O6 MW 501.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O6/c1-29-20-11-16(24)9-15-10-17(23(28)32-21(15)20)22(27)26-6-4-25(5-7-26)12-14-2-3-18-19(8-14)31-13-30-18/h2-3,8-11H,4-7,12-13H2,1H3InChIKey
WPFPOPVRVKUKBS-UHFFFAOYSA-NSynonyms
3((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)6bromo8methoxy2Hchromen2one
3(4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBONYL)6BROMO8METHOXYCHROMEN2ONE
COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC23H21BrN2O6c129201116(24)9151017(23(28)3221(15)20)22(27)266425(5726)1214231819(814)31133018h23811H471213H21H3
MFCD05859483
ZINC000019873898
ZINC19873898
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