Vitas-M small molecule compound
(2Z)-2-(3-chlorobenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK584908
SMILES Clc1cccc(c1)/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/c21-14-3-1-2-13(10-14)11-18-19(24)15-4-5-17(23)16(20(15)26-18)12-22-6-8-25-9-7-22/h1-5,10-11,23H,6-9,12H2/b18-11-InChIKey
TWXJANVUWUANHD-WQRHYEAKSA-NSynonyms
899391-81-2(2Z)2((3CHLOROPHENYL)METHYLIDENE)6HYDROXY7(MORPHOLIN4YLMETHYL)1BENZOFURAN3ONE
(2Z)2(3chlorobenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
2((3CHLOROPHENYL)METHYLENE)6HYDROXY7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
C1COCCN1CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)Cl)C3=O)O
Clc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCOCC1)(O)
InChI=1SC20H18ClNO4c211431213(1014)111819(24)154517(23)16(20(15)2618)122268259722h15101123H6912H2b1811
MFCD06609071
ZINC000002342213
ZINC02342213
ZINC2342213
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