Vitas-M small molecule compound
2-chloro-6-methoxy-4-{(E)-[5-(4-methylphenyl)-2-oxofuran-3(2H)-ylidene]methyl}phenyl acetate
Catalog ID
STK196863
SMILES COc1cc(/C=C/2\C=C(OC2=O)c2ccc(cc2)C)cc(c1OC(=O)C)Cl
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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 C21H17ClO5 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClO5/c1-12-4-6-15(7-5-12)18-11-16(21(24)27-18)8-14-9-17(22)20(26-13(2)23)19(10-14)25-3/h4-11H,1-3H3/b16-8+InChIKey
KRJQWUOXYMTSPK-LZYBPNLTSA-NSynonyms
(2CHLORO6METHOXY4((E)(5(4METHYLPHENYL)2OXOFURAN3YLIDENE)METHYL)PHENYL)ACETATE
2CHLORO6METHOXY4((5(4METHYLPHENYL)2OXO(3FURYLIDENE))METHYL)PHENYLACETATE
2CHLORO6METHOXY4((E)(5(4METHYLPHENYL)2OXOFURAN3(2H)YLIDENE)METHYL)PHENYLACETATE
ACETICACID2CHLORO6METHOXY4(2OXO5PTOLYLFURAN3YLIDENEMETHYL)PHENYL
CC1=CC=C(C=C1)C2=CC(=CC3=CC(=C(C(=C3)Cl)OC(=O)C)OC)C(=O)O2
COc1cc(C=C2C=C(OC2=O)c2ccc(cc2)C)cc(c1OC(=O)C)Cl
InChI=1SC21H17ClO5c1124615(7512)181116(21(24)2718)814917(22)20(2613(2)23)19(1014)253h411H13H3b168+
MFCD03044419
ZINC000004738849
ZINC04738849
ZINC4738849
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