Vitas-M small molecule compound

4-{3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid

Catalog ID
STK677954
SMILES OC(=O)CCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)c1ccc(cc1)Cl

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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 C31H30ClN3O4 MW 544.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O4/c1-34(2)23-13-9-20(10-14-23)31-30-25(17-21(18-27(30)36)19-7-11-22(32)12-8-19)33-24-5-3-4-6-26(24)35(31)28(37)15-16-29(38)39/h3-14,21,31,33H,15-18H2,1-2H3,(H,38,39)
InChIKey
UGZFCRYLVXODPS-UHFFFAOYSA-N
Synonyms

4(11(4(DIMETHYLAMINO)PHENYL)3(4CHLOROPHENYL)1OXO(234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL))4OXOBUTANOICACID
4(3(4chlorophenyl)11(4(dimethylamino)phenyl)1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(9(4chlorophenyl)6(4(dimethylamino)phenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
CN(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2C(=O)CCC(=O)O
InChI=1SC31H30ClN3O4c134(2)2313920(101423)313025(1721(1827(30)36)1971122(32)12819)3324534626(24)35(31)28(37)151629(38)39h314213133H1518H212H3(H3839)
MFCD03036138
ZINC000000718108
ZINC000000718111

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Available files

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