Vitas-M small molecule compound

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

Catalog ID
STK048577
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)C(C)(C)C)C1c1ccc(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 C37H44N2O4 MW 580.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N2O4/c1-7-8-9-14-34(41)39-30-13-11-10-12-28(30)38-29-21-26(24-15-18-27(19-16-24)37(2,3)4)22-31(40)35(29)36(39)25-17-20-32(42-5)33(23-25)43-6/h10-13,15-20,23,26,36,40H,7-9,14,21-22H2,1-6H3
InChIKey
AXKGIDZVRLDJOP-UHFFFAOYSA-N
Synonyms

1(3(4(tertbutyl)phenyl)11(34dimethoxyphenyl)1hydroxy34dihydro2Hdibenzo(be)(14)diazepin10(11H)yl)hexan1one
1(3(4tertbutylphenyl)11(34dimethoxyphenyl)1hydroxy23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)C(C)(C)C)C1c1ccc(c(c1)OC)OC
MFCD03194704
STK048577
ZINC000100426089
ZINC000100426098

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Available files

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