Vitas-M small molecule compound
(2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856009
SMILES CC1C[NH+](CC(C1)C)Cc1c([O-])ccc2c1O/C(=C\c1cccs1)/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 C21H23NO3S MW 369.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO3S/c1-13-8-14(2)11-22(10-13)12-17-18(23)6-5-16-20(24)19(25-21(16)17)9-15-4-3-7-26-15/h3-7,9,13-14,23H,8,10-12H2,1-2H3/b19-9-InChIKey
NCMRWOGLPHBUSW-OCKHKDLRSA-NSynonyms
929433-35-2(2Z)7((35dimethylpiperidin1yl)methyl)6hydroxy2(thiophen2ylmethylidene)1benzofuran3one
(2Z)7((35dimethylpiperidinium1yl)methyl)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
929433352
CC1C(NH+)(CC(C1)C)Cc1c((O))ccc2c1OC(=Cc1cccs1)C2=O
CC1CC(CN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O)C
InChI=1SC21H23NO3Sc113814(2)1122(1013)121718(23)651620(24)19(2521(16)17)9154372615h379131423H81012H212H3b199
MFCD09790311
ZINC000013654511
ZINC000020647507
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