Vitas-M small molecule compound

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

Catalog ID
STK058038
SMILES COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1ccc(cc1)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 C31H30N2O5 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O5/c1-19-7-9-20(10-8-19)22-17-25-30(27(34)18-22)31(21-11-13-23(38-2)14-12-21)33(28(35)15-16-29(36)37)26-6-4-3-5-24(26)32-25/h3-14,22,31,34H,15-18H2,1-2H3,(H,36,37)
InChIKey
ZVZXAUUVTOFAMS-UHFFFAOYSA-N
Synonyms

4(1hydroxy11(4methoxyphenyl)3(4methylphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(1hydroxy11(4methoxyphenyl)3(ptolyl)34dihydro2Hdibenzo(be)(14)diazepin10(11H)yl)4oxobutanoicacid
COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1ccc(cc1)C
MFCD03194679
STK058038
ZINC000100425827
ZINC000100425837

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Available files

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