Vitas-M small molecule compound

2-(cyclohexylamino)-1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]ethanone

Catalog ID
STK553586
SMILES CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)CNC1CCCCC1

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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 C32H46N2O5 MW 538.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H46N2O5/c1-5-36-28-15-14-23(19-29(28)37-6-2)18-27-26-21-31(39-8-4)30(38-7-3)20-24(26)16-17-34(27)32(35)22-33-25-12-10-9-11-13-25/h14-15,19-21,25,27,33H,5-13,16-18,22H2,1-4H3
InChIKey
SXJBYWBJVIKRAJ-UHFFFAOYSA-N
Synonyms
840462-17-1
2(CYCLOHEXYLAMINO)1(1((34DIETHOXYPHENYL)METHYL)67DIETHOXY34DIHYDRO1HISOQUINOLIN2YL)ETHANONE
2(cyclohexylamino)1(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)ethanone
840462171
CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)CNC4CCCCC4)OCC)OCC)OCC
InChI=1SC32H46N2O5c153628151423(1929(28)3762)1827262131(3984)30(3873)2024(26)161734(27)32(35)22332512109111325h14151921252733H513161822H214H3
MFCD04004467
ZINC000008914588
ZINC000013749908

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Available files

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