Vitas-M small molecule compound
1-{5-[(9Z)-9-(1,3-benzodioxol-5-ylmethylidene)-9H-fluoren-3-yl]-5-oxopentyl}piperidinium
Catalog ID
STL321978
SMILES O=C(c1ccc2c(c1)c1ccccc1/C/2=C/c1ccc2c(c1)OCO2)CCCC[NH+]1CCCCC1
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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 C31H32NO3 MW 466.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO3/c33-29(10-4-7-17-32-15-5-1-6-16-32)23-12-13-26-27(24-8-2-3-9-25(24)28(26)20-23)18-22-11-14-30-31(19-22)35-21-34-30/h2-3,8-9,11-14,18-20H,1,4-7,10,15-17,21H2/p+1/b27-18-InChIKey
MMPUYPQTPISBPV-IMRQLAEWSA-OSynonyms
1((9Z)9(13BENZODIOXOL5YLMETHYLIDENE)FLUOREN3YL)5PIPERIDIN1IUM1YLPENTAN1ONE
1(5((9Z)9(13benzodioxol5ylmethylidene)9Hfluoren3yl)5oxopentyl)piperidinium
C1CC(NH+)(CC1)CCCCC(=O)C2=CC3=C(C=C2)C(=CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C63
InChI=1SC31H31NO3c3329(10471732155161632)2312132627(24823925(24)28(26)2023)182211143031(1922)35213430h238911141820H14710151721H2p+1b2718
MFCD01552831
O=C(c1ccc2c(c1)c1ccccc1C2=Cc1ccc2c(c1)OCO2)CCCC(NH+)1CCCCC1
ZINC000013511551
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