Vitas-M small molecule compound

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

Catalog ID
STK095124
SMILES CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)OC

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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 C28H27BrN2O4 MW 535.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O4/c1-3-35-25-15-18(12-20(29)28(25)33)27-26-23(30-21-6-4-5-7-22(21)31-27)13-17(14-24(26)32)16-8-10-19(34-2)11-9-16/h4-12,15,17,27,30-31,33H,3,13-14H2,1-2H3
InChIKey
LPRZLVPWXHUBQR-UHFFFAOYSA-N
Synonyms
312623-00-0
11(3bromo5ethoxy4hydroxyphenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
312623000
6(3bromo5ethoxy4hydroxyphenyl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)Br)O
CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)OC
InChI=1SC28H27BrN2O4c1335251518(1220(29)28(25)33)272623(3021645722(21)3127)1317(1424(26)32)1681019(342)11916h412151727303133H31314H212H3
MFCD01825485
STK095124
ZINC000000681749
ZINC000000681752

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Available files

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