Vitas-M small molecule compound
N-[2-(2-methyl-5-oxo-4-pentyltetrahydrofuran-2-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-aminium (non-preferred name)
Catalog ID
STL059202
SMILES CCCCCC1CC(OC1=O)(C)C(=O)C[NH2+]c1nncs1
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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 C14H22N3O3S MW 312.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21N3O3S/c1-3-4-5-6-10-7-14(2,20-12(10)19)11(18)8-15-13-17-16-9-21-13/h9-10H,3-8H2,1-2H3,(H,15,17)/p+1InChIKey
LLAOUEGETGJRFK-UHFFFAOYSA-OSynonyms
(2(2METHYL5OXO4PENTYLOXOLAN2YL)2OXOETHYL)(134THIADIAZOL2YL)AZANIUM
CCCCCC1CC(OC1=O)(C)C(=O)C(NH2+)c1nncs1
CCCCCC1CC(OC1=O)(C)C(=O)C(NH2+)c1nncs1(Br)
CCCCCC1CC(OC1=O)(C)C(=O)C(NH2+)C2=NN=CS2
InChI=1SC14H21N3O3Sc1345610714(22012(10)19)11(18)81513171692113h910H38H212H3(H1517)p+1
N(2(2methyl5oxo4pentyltetrahydrofuran2yl)2oxoethyl)134thiadiazol2aminium(nonpreferredname)
N(2(2methyl5oxo4pentyltetrahydrofuran2yl)2oxoethyl)134thiadiazol2aminiumbromide
ZINC000001898710
ZINC000001898713
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