Vitas-M small molecule compound

11-(3-bromo-4,5-dimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK067601
SMILES COc1c(Br)cc(cc1OC)C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(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 C25H29BrN2O3 MW 485.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29BrN2O3/c1-13-7-17-18(8-14(13)2)28-23(15-9-16(26)24(31-6)21(10-15)30-5)22-19(27-17)11-25(3,4)12-20(22)29/h7-10,23,27-28H,11-12H2,1-6H3
InChIKey
JFBHWCRZTNUMTM-UHFFFAOYSA-N
Synonyms

11(3bromo45dimethoxyphenyl)3378tetramethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo45dimethoxyphenyl)2399tetramethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)CC(C3)(C)C
COc1c(Br)cc(cc1OC)C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C
InChI=1SC25H29BrN2O3c11371718(814(13)2)2823(15916(26)24(316)21(1015)305)2219(2717)1125(34)1220(22)29h710232728H1112H216H3
MFCD01994615
STK067601
ZINC000000716688
ZINC000000716689

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Available files

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