Vitas-M small molecule compound

1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one

Catalog ID
STK022868
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)C(C)(C)C)C1c1cc(OC)c(c(c1)OC)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 C38H46N2O5 MW 610.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N2O5/c1-8-9-10-15-34(42)40-30-14-12-11-13-28(30)39-29-20-25(24-16-18-27(19-17-24)38(2,3)4)21-31(41)35(29)36(40)26-22-32(43-5)37(45-7)33(23-26)44-6/h11-14,16-19,22-23,25,36,41H,8-10,15,20-21H2,1-7H3
InChIKey
HDYKOMZZZKSPOY-UHFFFAOYSA-N
Synonyms

1(3(4tertbutylphenyl)1hydroxy11(345trimethoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)C(C)(C)C)C1c1cc(OC)c(c(c1)OC)OC
MFCD03161578
STK022868
ZINC000101405945
ZINC000101405952

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Available files

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