Vitas-M small molecule compound
(2Z)-2-(4-chlorobenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK939615
SMILES Clc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[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 C20H18ClNO4 MW 371.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO4/c21-14-3-1-13(2-4-14)11-18-19(24)15-5-6-17(23)16(20(15)26-18)12-22-7-9-25-10-8-22/h1-6,11,23H,7-10,12H2/b18-11-InChIKey
SVUWVRYETXNBBR-WQRHYEAKSA-NSynonyms
869078-10-4(2Z)2((4CHLOROPHENYL)METHYLIDENE)6HYDROXY7(MORPHOLIN4YLMETHYL)1BENZOFURAN3ONE
(2Z)2((4chlorophenyl)methylidene)7(morpholin4ium4ylmethyl)3oxo1benzofuran6olate
(2Z)2(4chlorobenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
2((4CHLOROPHENYL)METHYLENE)6HYDROXY7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
869078104
C1COCC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)Cl)C3=O)(O)
Clc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCOCC1)(O)
InChI=1SC20H18ClNO4c21143113(2414)111819(24)155617(23)16(20(15)2618)1222792510822h161123H71012H2b1811
MFCD06405777
ZINC000004339696
ZINC04339696
ZINC4339696
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