Vitas-M small molecule compound

methyl 5-{[(5-bromo-2-methoxy-3-methylphenyl)carbonyl]amino}-2-(morpholin-4-yl)benzoate

Catalog ID
STK183484
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1cc(Br)cc(c1OC)C

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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 C21H23BrN2O5 MW 463.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O5/c1-13-10-14(22)11-17(19(13)27-2)20(25)23-15-4-5-18(16(12-15)21(26)28-3)24-6-8-29-9-7-24/h4-5,10-12H,6-9H2,1-3H3,(H,23,25)
InChIKey
QNQDSWHIIBBZLY-UHFFFAOYSA-N
Synonyms

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)OC
InChI=1SC21H23BrN2O5c1131014(22)1117(19(13)272)20(25)23154518(16(1215)21(26)283)2468299724h451012H69H213H3(H2325)
METHYL5(((5BROMO2METHOXY3METHYLPHENYL)CARBONYL)AMINO)2(MORPHOLIN4YL)BENZOATE
methyl5((5bromo2methoxy3methylbenzoyl)amino)2morpholin4ylbenzoate
MFCD06664371
ZINC000009906142
ZINC09906142
ZINC9906142

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Available files

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