Vitas-M small molecule compound

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

Catalog ID
STK677937
SMILES OC(=O)CCC(=O)N1C(c2ccc(cc2)F)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccc(cc1)C(C)(C)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 C33H33FN2O4 MW 540.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33FN2O4/c1-33(2,3)23-12-8-20(9-13-23)22-18-26-31(28(37)19-22)32(21-10-14-24(34)15-11-21)36(29(38)16-17-30(39)40)27-7-5-4-6-25(27)35-26/h4-15,22,32,35H,16-19H2,1-3H3,(H,39,40)
InChIKey
SWQHCHPDOJCYLR-UHFFFAOYSA-N
Synonyms

4(3(4(TERTBUTYL)PHENYL)11(4FLUOROPHENYL)1OXO(234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL))4OXOBUTANOICACID
4(3(4tertbutylphenyl)11(4fluorophenyl)1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(9(4tertbutylphenyl)6(4fluorophenyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin5yl)4oxobutanoicacid
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)F)C(=O)C2
InChI=1SC33H33FN2O4c133(23)2312820(91323)22182631(28(37)1922)32(21101424(34)151121)36(29(38)161730(39)40)27754625(27)3526h415223235H1619H213H3(H3940)
MFCD03036110
ZINC000000718140
ZINC000000718143

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Available files

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