Vitas-M small molecule compound

(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK850098
SMILES O=C1/C(=C/c2sccc2C)/Oc2c1ccc(c2C[NH+]1CCCC1)[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 C19H19NO3S MW 341.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO3S/c1-12-6-9-24-17(12)10-16-18(22)13-4-5-15(21)14(19(13)23-16)11-20-7-2-3-8-20/h4-6,9-10,21H,2-3,7-8,11H2,1H3/b16-10-
InChIKey
KKPNNIAMBRGIJO-YBEGLDIGSA-N
Synonyms
899410-55-0
(2Z)2((3methylthiophen2yl)methylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2((3methylthiophen2yl)methylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2((3METHYLTHIOPHEN2YL)METHYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((3METHYL(2THIENYL))METHYLENE)7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
899410550
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCC4
InChI=1SC19H19NO3Sc112692417(12)101618(22)134515(21)14(19(13)2316)1120723820h4691021H237811H21H3b1610
MFCD06607894
O=C1C(=Cc2sccc2C)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000013540567
ZINC13540567

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Available files

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