Vitas-M small molecule compound
4-[(3-methylpiperidinium-1-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-olate
Catalog ID
STK559909
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1oc(=O)c1c2CCCC1
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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 C20H25NO3 MW 327.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO3/c1-13-5-4-10-21(11-13)12-17-18(22)9-8-15-14-6-2-3-7-16(14)20(23)24-19(15)17/h8-9,13,22H,2-7,10-12H2,1H3InChIKey
JZGHSGDMSTWICS-UHFFFAOYSA-NSynonyms
843638-22-24((3methylpiperidin1ium1yl)methyl)6oxo78910tetrahydrobenzo(c)chromen3olate
4((3methylpiperidinium1yl)methyl)6oxo78910tetrahydro6Hbenzo(c)chromen3olate
843638222
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1oc(=O)c1c2CCCC1
CC1CCC(NH+)(C1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)(O)
InChI=1SC20H25NO3c113541021(1113)121718(22)981514623716(14)20(23)2419(15)17h891322H271012H21H3
MFCD04017636
ZINC000002549595
ZINC000002549597
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