Vitas-M small molecule compound

(2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856499
SMILES CC1C[NH+](CC(C1)C)Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/C2=O

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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 C22H25NO3S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO3S/c1-13-8-14(2)11-23(10-13)12-17-18(24)5-4-16-21(25)19(26-22(16)17)9-20-15(3)6-7-27-20/h4-7,9,13-14,24H,8,10-12H2,1-3H3/b19-9-
InChIKey
HJDUMLWRGSDYTN-OCKHKDLRSA-N
Synonyms
929433-41-0
(2Z)7((35dimethylpiperidin1yl)methyl)6hydroxy2((3methylthiophen2yl)methylidene)1benzofuran3one
(2Z)7((35dimethylpiperidinium1yl)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
929433410
CC1C(NH+)(CC(C1)C)Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O
CC1CC(CN(C1)CC2=C(C=CC3=C2OC(=CC4=C(C=CS4)C)C3=O)O)C
InChI=1SC22H25NO3Sc113814(2)1123(1013)121718(24)541621(25)19(2622(16)17)92015(3)672720h479131424H81012H213H3b199
MFCD09789820
ZINC000009476763
ZINC000013654042

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Available files

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