Vitas-M small molecule compound

methyl 4-[1-hydroxy-3,3-dimethyl-10-(phenylcarbamothioyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate

Catalog ID
STL055876
SMILES COC(=O)c1ccc(cc1)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 C30H29N3O3S MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3S/c1-30(2)17-23-26(25(34)18-30)27(19-13-15-20(16-14-19)28(35)36-3)33(24-12-8-7-11-22(24)32-23)29(37)31-21-9-5-4-6-10-21/h4-16,27,34H,17-18H2,1-3H3,(H,31,37)
InChIKey
GGLFJHFNPAGSDN-UHFFFAOYSA-N
Synonyms

methyl4(1hydroxy33dimethyl10(phenylcarbamothioyl)341011tetrahydro2Hdibenzo(be)(14)diazepin11yl)benzoate
MFCD05726523
ZINC000102895177
ZINC000102895180

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Available files

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