Vitas-M small molecule compound

4-[11-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

Catalog ID
STK001427
SMILES COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2ccc(cc2)F)C(=O)CCC(=O)O)C1)O

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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 C30H27FN2O5 MW 514.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27FN2O5/c1-38-22-12-8-18(9-13-22)20-16-24-29(26(34)17-20)30(19-6-10-21(31)11-7-19)33(27(35)14-15-28(36)37)25-5-3-2-4-23(25)32-24/h2-13,20,30,34H,14-17H2,1H3,(H,36,37)
InChIKey
FQSSOGOONIRJHF-UHFFFAOYSA-N
Synonyms

4(11(4fluorophenyl)1hydroxy3(4methoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2ccc(cc2)F)C(=O)CCC(=O)O)C1)O
MFCD03034119
STK001427
ZINC000001300400
ZINC000101373503

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Available files

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