Vitas-M small molecule compound

1-hydroxy-3,3-dimethyl-N-phenyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

Catalog ID
STL149010
SMILES COc1c(OC)cc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=S)Nc1ccccc1)cccc2)(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 C31H33N3O4S MW 543.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O4S/c1-31(2)17-22-27(24(35)18-31)28(19-15-25(36-3)29(38-5)26(16-19)37-4)34(23-14-10-9-13-21(23)33-22)30(39)32-20-11-7-6-8-12-20/h6-16,28,35H,17-18H2,1-5H3,(H,32,39)
InChIKey
JMCMOSFRVNPRNG-UHFFFAOYSA-N
Synonyms

1hydroxy33dimethylNphenyl11(345trimethoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepine10carbothioamide
MFCD03809893
ZINC000001246486
ZINC000102928527

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Available files

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