Vitas-M small molecule compound

2-{[(E)-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione

Catalog ID
STK280734
SMILES COc1cc(/C=N/N2C(=O)C3C(C2=O)C2CCC3C=C2)ccc1OCc1ccc(cc1)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 C25H23ClN2O4 MW 450.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O4/c1-31-21-12-16(4-11-20(21)32-14-15-2-9-19(26)10-3-15)13-27-28-24(29)22-17-5-6-18(8-7-17)23(22)25(28)30/h2-6,9-13,17-18,22-23H,7-8,14H2,1H3/b27-13+
InChIKey
XOYMYKYLIUQSAX-UVHMKAGCSA-N
Synonyms

2(((E)(4((4chlorobenzyl)oxy)3methoxyphenyl)methylidene)amino)3a477atetrahydro1H47ethanoisoindole13(2H)dione
COC1=C(C=CC(=C1)C=NN2C(=O)C3C4CCC(C3C2=O)C=C4)OCC5=CC=C(C=C5)Cl
COc1cc(C=NN2C(=O)C3C(C2=O)C2CCC3C=C2)ccc1OCc1ccc(cc1)Cl
InChI=1SC25H23ClN2O4c131211216(41120(21)3214152919(26)10315)13272824(29)22175618(8717)23(22)25(28)30h2691317182223H7814H21H3b2713+
MFCD01053556
ZINC000100175881
ZINC000105410439

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Available files

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