Vitas-M small molecule compound

4-[3-(4-fluorophenyl)-11-(3-methoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

Catalog ID
STK677475
SMILES COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2c(N1C(=O)CCC(=O)O)cccc2

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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/c1-38-22-6-4-5-19(15-22)30-29-24(16-20(17-26(29)34)18-9-11-21(31)12-10-18)32-23-7-2-3-8-25(23)33(30)27(35)13-14-28(36)37/h2-12,15,20,30,32H,13-14,16-17H2,1H3,(H,36,37)
InChIKey
MJPCQJZPUVXXEX-UHFFFAOYSA-N
Synonyms

4(3(4FLUOROPHENYL)11(3METHOXYPHENYL)1OXO(234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL))4OXOBUTANOICACID
4(3(4fluorophenyl)11(3methoxyphenyl)1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(9(4fluorophenyl)6(3methoxyphenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
COC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)CCC(=O)O
InChI=1SC30H27FN2O5c1382264519(1522)302924(1620(1726(29)34)1891121(31)121018)3223723825(23)33(30)27(35)131428(36)37h21215203032H13141617H21H3(H3637)
MFCD03035474
ZINC000000718041
ZINC000000718046

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Available files

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