Vitas-M small molecule compound

[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](phenyl)methanone

Catalog ID
STK088220
SMILES COc1c(OC)cc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)c1ccc(cc1)C(C)(C)C

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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 C39H40N2O5 MW 616.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H40N2O5/c1-39(2,3)28-18-16-24(17-19-28)26-20-30-35(32(42)21-26)36(27-22-33(44-4)37(46-6)34(23-27)45-5)41(31-15-11-10-14-29(31)40-30)38(43)25-12-8-7-9-13-25/h7-19,22-23,26,36,42H,20-21H2,1-6H3
InChIKey
XPRHXNVPPJJLAT-UHFFFAOYSA-N
Synonyms

(3(4tertbutylphenyl)1hydroxy11(345trimethoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)(phenyl)methanone
COc1c(OC)cc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)c1ccc(cc1)C(C)(C)C
MFCD03161579
STK088220
ZINC000101100341
ZINC000101100347

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Available files

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