Vitas-M small molecule compound
3-[3-(4-chlorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl hexanoate
Catalog ID
STK677951
SMILES CCCCCC(=O)N1C(c2cccc(c2)OC(=O)CCCCC)C2=C(Nc3c1cccc3)CC(CC2=O)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 C37H41ClN2O4 MW 613.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41ClN2O4/c1-3-5-7-16-34(42)40-32-15-10-9-14-30(32)39-31-23-27(25-18-20-28(38)21-19-25)24-33(41)36(31)37(40)26-12-11-13-29(22-26)44-35(43)17-8-6-4-2/h9-15,18-22,27,37,39H,3-8,16-17,23-24H2,1-2H3InChIKey
ZHVBDCYYEBXFPA-UHFFFAOYSA-NSynonyms
(3(9(4chlorophenyl)5hexanoyl7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)phenyl)hexanoate
3(3(4chlorophenyl)10hexanoyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)phenylhexanoate
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C41)C5=CC(=CC=C5)OC(=O)CCCCC
InChI=1SC37H41ClN2O4c13571634(42)4032151091430(32)39312327(25182028(38)211925)2433(41)36(31)37(40)2612111329(2226)4435(43)178642h9151822273739H3816172324H212H3
MFCD03036129
ZINC000098003662
ZINC000098003665
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