Vitas-M small molecule compound

methyl 11-(3-chloro-4-ethoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

Catalog ID
STK405153
SMILES CCOc1ccc(cc1Cl)C1Nc2ccccc2NC2=C1C(=O)C(C(C2)C)C(=O)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 C24H25ClN2O4 MW 440.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN2O4/c1-4-31-19-10-9-14(12-15(19)25)22-21-18(26-16-7-5-6-8-17(16)27-22)11-13(2)20(23(21)28)24(29)30-3/h5-10,12-13,20,22,26-27H,4,11H2,1-3H3
InChIKey
JLMASIYSUHFGTF-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC4=CC=CC=C4N2)Cl
InChI=1SC24H25ClN2O4c14311910914(1215(19)25)222118(2616756817(16)2722)1113(2)20(23(21)28)24(29)303h510121320222627H411H213H3
methyl11(3chloro4ethoxyphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(3chloro4ethoxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD05857845
ZINC000001443412
ZINC000013494567
ZINC13494569

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Available files

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