Vitas-M small molecule compound

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

Catalog ID
STK031866
SMILES CCOc1cc(cc(c1OC)Br)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 C26H31BrN2O3 MW 499.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31BrN2O3/c1-7-32-22-11-16(10-17(27)25(22)31-6)24-23-20(12-26(4,5)13-21(23)30)28-18-8-14(2)15(3)9-19(18)29-24/h8-11,24,28-29H,7,12-13H2,1-6H3
InChIKey
VSYGMRDALMBHGZ-UHFFFAOYSA-N
Synonyms

11(3bromo5ethoxy4methoxyphenyl)3378tetramethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo5ethoxy4methoxyphenyl)2399tetramethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C(N2)C=C(C(=C4)C)C)Br)OC
CCOc1cc(cc(c1OC)Br)C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C
InChI=1SC26H31BrN2O3c1732221116(1017(27)25(22)316)242320(1226(45)1321(23)30)2818814(2)15(3)919(18)2924h811242829H71213H216H3
MFCD02104305
STK031866
ZINC000004082240
ZINC000004082242

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Available files

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