Vitas-M small molecule compound

[11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](cyclopropyl)methanone

Catalog ID
STK097942
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C1CC1)cccc2)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 C39H37ClN2O5 MW 649.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37ClN2O5/c1-3-46-36-22-27(14-19-35(36)47-23-24-8-15-29(40)16-9-24)38-37-32(20-28(21-34(37)43)25-12-17-30(45-2)18-13-25)41-31-6-4-5-7-33(31)42(38)39(44)26-10-11-26/h4-9,12-19,22,26,28,38,43H,3,10-11,20-21,23H2,1-2H3
InChIKey
LSEYQPZWCPMJKI-UHFFFAOYSA-N
Synonyms

(11(4((4chlorobenzyl)oxy)3ethoxyphenyl)1hydroxy3(4methoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)(cyclopropyl)methanone
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C1CC1)cccc2)c1ccc(cc1)OC
MFCD03032816
STK097942
ZINC000150416611
ZINC000150416626

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.