Vitas-M small molecule compound

12-[(2-chlorobenzyl)oxy]-14-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6-dihydrobenzo[6,7]indolo[2,1-a]isoquinoline

Catalog ID
STK551862
SMILES CCOc1cc(ccc1OCC)c1c2cc(OCc3ccccc3Cl)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 C41H40ClNO5 MW 662.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40ClNO5/c1-5-44-34-18-17-27(22-36(34)45-6-2)39-32-24-35(48-25-28-13-9-12-16-33(28)42)29-14-10-11-15-30(29)40(32)43-20-19-26-21-37(46-7-3)38(47-8-4)23-31(26)41(39)43/h9-18,21-24H,5-8,19-20,25H2,1-4H3
InChIKey
FLBMXMYLFIQKEG-UHFFFAOYSA-N
Synonyms

12((2chlorobenzyl)oxy)14(34diethoxyphenyl)23diethoxy56dihydrobenzo(67)indolo(21a)isoquinoline
CCOC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4CCN3C5=C2C=C(C6=CC=CC=C65)OCC7=CC=CC=C7Cl)OCC)OCC)OCC
InChI=1SC41H40ClNO5c154434181727(2236(34)4562)39322435(482528139121633(28)42)291410111530(29)40(32)432019262137(4673)38(4784)2331(26)41(39)43h9182124H58192025H214H3
MFCD03683858
ZINC000150421589
ZINC150421589

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Available files

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