Vitas-M small molecule compound
(2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK586058
SMILES [O-]c1ccc2c(c1C[NH+]1CCOCC1)O/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 C18H17NO4S MW 343.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO4S/c20-15-4-3-13-17(21)16(10-12-2-1-9-24-12)23-18(13)14(15)11-19-5-7-22-8-6-19/h1-4,9-10,20H,5-8,11H2/b16-10-InChIKey
NVHXGLKOTSOFGS-YBEGLDIGSA-NSynonyms
896815-81-9(2Z)6HYDROXY7(MORPHOLIN4YLMETHYL)2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7(morpholin4ium4ylmethyl)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
(O)c1ccc2c(c1C(NH+)1CCOCC1)OC(=Cc1cccs1)C2=O
6HYDROXY7(MORPHOLIN4YLMETHYL)2(2THIENYLMETHYLENE)BENZO(B)FURAN3ONE
C1COCCN1CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O
InChI=1SC18H17NO4Sc2015431317(21)16(10122192412)2318(13)14(15)111957228619h1491020H5811H2b1610
MFCD06597190
ZINC000002207037
ZINC02207037
ZINC2207037
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