Vitas-M small molecule compound

(4E)-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one

Catalog ID
STK052596
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)/C=C\1/N=C(OC1=O)c1cccc(c1)OC

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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 C26H22ClNO5 MW 463.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO5/c1-3-31-24-14-17(11-12-23(24)32-16-19-7-4-5-10-21(19)27)13-22-26(29)33-25(28-22)18-8-6-9-20(15-18)30-2/h4-15H,3,16H2,1-2H3/b22-13+
InChIKey
OLARLNRNUSMJNY-LPYMAVHISA-N
Synonyms

(4E)4((4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)2(3METHOXYPHENYL)13OXAZOL5ONE
(4E)4(4((2CHLOROBENZYL)OXY)3ETHOXYBENZYLIDENE)2(3METHOXYPHENYL)13OXAZOL5(4H)ONE
CCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)OC)OCC4=CC=CC=C4Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C=C1N=C(OC1=O)c1cccc(c1)OC
InChI=1SC26H22ClNO5c1331241417(111223(24)3216197451021(19)27)132226(29)3325(2822)1886920(1518)302h415H316H212H3b2213+
MFCD03034088
STK052596
ZINC000002820767
ZINC02820767
ZINC2820767

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Available files

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