Vitas-M small molecule compound

methyl 5-({4-[(3-chlorobenzyl)oxy]-3-methoxybenzyl}amino)-2-(morpholin-4-yl)benzoate

Catalog ID
STK188580
SMILES COC(=O)c1cc(NCc2ccc(c(c2)OC)OCc2cccc(c2)Cl)ccc1N1CCOCC1

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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 C27H29ClN2O5 MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O5/c1-32-26-15-19(6-9-25(26)35-18-20-4-3-5-21(28)14-20)17-29-22-7-8-24(23(16-22)27(31)33-2)30-10-12-34-13-11-30/h3-9,14-16,29H,10-13,17-18H2,1-2H3
InChIKey
QCMVHKPPWWPETL-UHFFFAOYSA-N
Synonyms

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)OCC4=CC(=CC=C4)Cl
InChI=1SC27H29ClN2O5c132261519(6925(26)35182043521(28)1420)1729227824(23(1622)27(31)332)30101234131130h39141629H10131718H212H3
METHYL5((4((3CHLOROBENZYL)OXY)3METHOXYBENZYL)AMINO)2(MORPHOLIN4YL)BENZOATE
METHYL5((4((3CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLAMINO)2MORPHOLIN4YLBENZOATE
MFCD06664685
ZINC000009907728
ZINC09907728
ZINC9907728

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.