Vitas-M small molecule compound
1-[(4-isothiocyanatophenyl)sulfonyl]azepane
Catalog ID
STK502596
SMILES S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
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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 C13H16N2O2S2 MW 296.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O2S2/c16-19(17,15-9-3-1-2-4-10-15)13-7-5-12(6-8-13)14-11-18/h5-8H,1-4,9-10H2InChIKey
DXVSAGFLARHWIP-UHFFFAOYSA-NSynonyms
956576-60-61((4isothiocyanatophenyl)sulfonyl)azepane
1(4ISOTHIOCYANATOBENZENESULFONYL)AZEPANE
1(4isothiocyanatophenyl)sulfonylazepane
956576606
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=C=S
InChI=1SC13H16N2O2S2c1619(1715931241015)137512(6813)141118h58H14910H2
MFCD09971943
ZINC000019737292
ZINC19737292
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