Vitas-M small molecule compound

N-cyclopropyl-4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazine-1-carbothioamide

Catalog ID
STL237874
SMILES S=C(N1CCN(CC1)C1=Nc2ccccc2Oc2c1cccc2)NC1CC1

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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 C21H22N4OS MW 378.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS/c27-21(22-15-9-10-15)25-13-11-24(12-14-25)20-16-5-1-3-7-18(16)26-19-8-4-2-6-17(19)23-20/h1-8,15H,9-14H2,(H,22,27)
InChIKey
SQFCKBWIIPFVEU-UHFFFAOYSA-N
Synonyms
951947-16-3
4benzo(b)(14)benzoxazepin6ylNcyclopropylpiperazine1carbothioamide
951947163
C1CC1NC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=CC=CC=C53
InChI=1SC21H22N4OSc2721(221591015)25131124(121425)2016513718(16)2619842617(19)2320h1815H914H2(H2227)
MFCD09855649
Ncyclopropyl4(dibenzo(bf)(14)oxazepin11yl)piperazine1carbothioamide
ZINC000013723175
ZINC13723175

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Available files

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