Vitas-M small molecule compound

2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate

Catalog ID
STK039627
SMILES N#CSCC(=O)N1c2ccccc2CCc2c1cccc2

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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 C17H14N2OS MW 294.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2OS/c18-12-21-11-17(20)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-8H,9-11H2
InChIKey
BWJPRMXKIWYPAB-UHFFFAOYSA-N
Synonyms

(2(10H11HDIBENZO(BF)AZEPIN5YL)2OXOETHYL)THIOCARBONITRILE
(2(56DIHYDROBENZO(B)(1)BENZAZEPIN11YL)2OXOETHYL)THIOCYANATE
1(1011dihydro5Hdibenzo(bf)azepin5yl)2thiocyanatoethanone
2(1011dihydro5Hdibenzo(bf)azepin5yl)2oxoethylthiocyanate
C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC#N
InChI=1SC17H14N2OSc1812211117(20)1915731513(15)91014624816(14)19h18H911H2
MFCD01958158
N#CSCC(=O)N1c2ccccc2CCc2c1cccc2
STK039627
ZINC000002287367
ZINC02287367
ZINC2287367

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Available files

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