Vitas-M small molecule compound

11-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK546985
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)C(C)(C)C)C(=O)Cc1ccccc1

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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 C38H38N2O3 MW 570.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38N2O3/c1-38(2,3)29-18-14-27(15-19-29)37-36-32(23-28(24-34(36)41)26-16-20-30(43-4)21-17-26)39-31-12-8-9-13-33(31)40(37)35(42)22-25-10-6-5-7-11-25/h5-21,28,37,39H,22-24H2,1-4H3
InChIKey
QMERTYJTNFDTKD-UHFFFAOYSA-N
Synonyms

11(4(tertbutyl)phenyl)3(4methoxyphenyl)10(2phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4tertbutylphenyl)3(4methoxyphenyl)10(phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4tertbutylphenyl)9(4methoxyphenyl)5(2phenylacetyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(C)(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2C(=O)CC6=CC=CC=C6
InChI=1SC38H38N2O3c138(23)29181427(151929)373632(2328(2434(36)41)26162030(434)211726)393112891333(31)40(37)35(42)2225106571125h521283739H2224H214H3
MFCD03300448
ZINC000098000299
ZINC000098000302

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Available files

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