Vitas-M small molecule compound
11-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403367
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Cl)c(c(c1)OCC)O
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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 C30H31ClN2O5 MW 535.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN2O5/c1-4-37-25-11-10-17(15-26(25)36-3)18-13-23-28(24(34)14-18)29(33-22-9-7-6-8-21(22)32-23)19-12-20(31)30(35)27(16-19)38-5-2/h6-12,15-16,18,29,32-33,35H,4-5,13-14H2,1-3H3InChIKey
FDLRMEUIOUVSDG-UHFFFAOYSA-NSynonyms
11(3chloro5ethoxy4hydroxyphenyl)3(4ethoxy3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3chloro5ethoxy4hydroxyphenyl)9(4ethoxy3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Cl)O)OCC)C(=O)C2)OC
InChI=1SC30H31ClN2O5c143725111017(1526(25)363)18132328(24(34)1418)29(3322976821(22)3223)191220(31)30(35)27(1619)3852h61215161829323335H451314H213H3
MFCD03489189
ZINC000001434750
ZINC000001434753
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