Vitas-M small molecule compound
(2Z)-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848837
SMILES CC1CCC[NH+](C1)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 C20H21NO3S MW 355.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO3S/c1-13-4-2-8-21(11-13)12-16-17(22)7-6-15-19(23)18(24-20(15)16)10-14-5-3-9-25-14/h3,5-7,9-10,13,22H,2,4,8,11-12H2,1H3/b18-10-InChIKey
QSIQANCMADLMDY-ZDLGFXPLSA-NSynonyms
896806-53-4(2Z)7((3methylpiperidin1ium1yl)methyl)3oxo2(thiophen2ylmethylidene)1benzofuran6olate
(2Z)7((3methylpiperidinium1yl)methyl)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
896806534
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1cccs1)C2=O
CC1CCC(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)(O)
InChI=1SC20H21NO3Sc11342821(1113)121617(22)761519(23)18(2420(15)16)10145392514h3579101322H2481112H21H3b1810
MFCD06595578
ZINC000020504033
ZINC000020504034
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