Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853718
SMILES C[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1cccs1)/C2=O)C)C
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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 C17H17NO3S MW 315.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO3S/c1-10-7-13(19)12(9-18(2)3)17-15(10)16(20)14(21-17)8-11-5-4-6-22-11/h4-8,19H,9H2,1-3H3/b14-8-InChIKey
UGLOWBYPGUWQOP-ZSOIEALJSA-NSynonyms
903198-10-7(2Z)7((dimethylammonio)methyl)4methyl3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)4methyl3oxo2(thiophen2ylmethylidene)1benzofuran6olate
903198107
C(NH+)(Cc1c((O))cc(c2c1OC(=Cc1cccs1)C2=O)C)C
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CS3)O2)C(NH+)(C)C)(O)
InChI=1SC17H17NO3Sc110713(19)12(918(2)3)1715(10)16(20)14(2117)8115462211h4819H9H213H3b148
MFCD08285361
ZINC000020573066
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