Vitas-M small molecule compound

2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]propane-1,3-diyl bis(thiocyanate)

Catalog ID
STL344791
SMILES N#CSCC(OC1CC2C(C1(C)CC2)(C)C)CSC#N

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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 C15H22N2OS2 MW 310.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22N2OS2/c1-14(2)11-4-5-15(14,3)13(6-11)18-12(7-19-9-16)8-20-10-17/h11-13H,4-8H2,1-3H3
InChIKey
BYRAKYAIGXNFDZ-UHFFFAOYSA-N
Synonyms
1212472-83-7
(1S4S)2((13dithiocyanatopropan2yl)oxy)177trimethylbicyclo(221)heptane
(3THIOCYANATO2((477TRIMETHYL3BICYCLO(221)HEPTANYL)OXY)PROPYL)THIOCYANATE
1212472837
2((177trimethylbicyclo(221)hept2yl)oxy)propane13diylbis(thiocyanate)
CC1(C2CCC1(C(C2)OC(CSC#N)CSC#N)C)C
InChI=1SC15H22N2OS2c114(2)114515(143)13(611)1812(719916)8201017h1113H48H213H3
MFCD02164797
ZINC000101141936
ZINC000101141947

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Available files

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