Vitas-M small molecule compound

11-(2,6-dichlorophenyl)-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK134695
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1c(Cl)cccc1Cl)C(=O)CC(C2)(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 C27H30Cl2N2O2 MW 485.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30Cl2N2O2/c1-4-5-6-14-23(33)31-21-13-8-7-12-19(21)30-20-15-27(2,3)16-22(32)25(20)26(31)24-17(28)10-9-11-18(24)29/h7-13,26,30H,4-6,14-16H2,1-3H3
InChIKey
RDAXZEWKIYFVCK-UHFFFAOYSA-N
Synonyms
371929-45-2
11(26dichlorophenyl)10hexanoyl33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
371929452
6(26dichlorophenyl)5hexanoyl99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=C(C=CC=C4Cl)Cl
InChI=1SC27H30Cl2N2O2c14561423(33)312113871219(21)30201527(23)1622(32)25(20)26(31)2417(28)1091118(24)29h7132630H461416H213H3
MFCD01921843
ZINC000018181383
ZINC000018181386

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Available files

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