Vitas-M small molecule compound
3a-(pentylsulfonyl)-2,3,3a,4,7,7a-hexahydro-4,7-methano-1-benzothiophene-3-ol 1,1-dioxide
Catalog ID
STL059366
SMILES CCCCCS(=O)(=O)C12C3C=CC(C2S(=O)(=O)CC1O)C3
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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 C14H22O5S2 MW 334.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H22O5S2/c1-2-3-4-7-21(18,19)14-11-6-5-10(8-11)13(14)20(16,17)9-12(14)15/h5-6,10-13,15H,2-4,7-9H2,1H3InChIKey
YFJIVNGJHLTYHH-UHFFFAOYSA-NSynonyms
(3aS4R7S7aR)3hydroxy3a(pentylsulfonyl)233a477ahexahydro47methanobenzo(b)thiophene11dioxide
3a(pentylsulfonyl)233a477ahexahydro47methano1benzothiophene3ol11dioxide
CCCCCS(=O)(=O)C12C3C=CC((C@@H)2S(=O)(=O)CC1O)C3
CCCCCS(=O)(=O)C12C3CC(C1S(=O)(=O)CC2O)C=C3
InChI=1SC14H22O5S2c1234721(1819)14116510(811)13(14)20(1617)912(14)15h56101315H2479H21H3
MFCD18193145
ZINC000100815789
ZINC000230100711
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