Vitas-M small molecule compound
1-(4-bromophenyl)-2-{[14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinolin-12-yl]oxy}ethanone
Catalog ID
STK551200
SMILES CCOc1cc(ccc1OCC)c1c2cc(OCC(=O)c3ccc(cc3)Br)c3c(c2n2c1c1cc(OCC)c(cc1CC2)OCC)cccc3
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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 C42H40BrNO6 MW 734.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H40BrNO6/c1-5-46-35-18-15-28(22-37(35)47-6-2)40-33-24-36(50-25-34(45)26-13-16-29(43)17-14-26)30-11-9-10-12-31(30)41(33)44-20-19-27-21-38(48-7-3)39(49-8-4)23-32(27)42(40)44/h9-18,21-24H,5-8,19-20,25H2,1-4H3InChIKey
YTJKBACEDXHOPA-UHFFFAOYSA-NSynonyms
1(4bromophenyl)2((14(34diethoxyphenyl)23diethoxy56dihydrobenzo(67)indolo(21a)isoquinolin12yl)oxy)ethanone
CCOC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4CCN3C5=C2C=C(C6=CC=CC=C65)OCC(=O)C7=CC=C(C=C7)Br)OCC)OCC)OCC
InChI=1SC42H40BrNO6c154635181528(2237(35)4762)40332436(502534(45)26131629(43)171426)30119101231(30)41(33)442019272138(4873)39(4984)2332(27)42(40)44h9182124H58192025H214H3
MFCD03693352
ZINC000150421581
ZINC150421581
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