Vitas-M small molecule compound

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

Catalog ID
STK085507
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)/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/c1-3-31-24-14-18(9-12-23(24)32-16-17-7-10-20(27)11-8-17)13-22-26(29)33-25(28-22)19-5-4-6-21(15-19)30-2/h4-15H,3,16H2,1-2H3/b22-13+
InChIKey
PZCFBXFLKWPHAT-LPYMAVHISA-N
Synonyms

(4E)4((4((4CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)2(3METHOXYPHENYL)13OXAZOL5ONE
(4E)4(4((4CHLOROBENZYL)OXY)3ETHOXYBENZYLIDENE)2(3METHOXYPHENYL)13OXAZOL5(4H)ONE
CCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)OC)OCC4=CC=C(C=C4)Cl
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C=C1N=C(OC1=O)c1cccc(c1)OC
InChI=1SC26H22ClNO5c1331241418(91223(24)32161771020(27)11817)132226(29)3325(2822)1954621(1519)302h415H316H212H3b2213+
MFCD03033667
STK085507
ZINC000002818838
ZINC02818838
ZINC2818838

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Available files

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