Vitas-M small molecule compound
N-[2-(4-butyl-2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-aminium (non-preferred name)
Catalog ID
STL059186
SMILES CC1(CC(C(=O)O1)CCCC)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 C13H20N3O3S MW 298.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3O3S/c1-3-4-5-9-6-13(2,19-11(9)18)10(17)7-14-12-16-15-8-20-12/h8-9H,3-7H2,1-2H3,(H,14,16)/p+1InChIKey
AOSHDDDSNSPPME-UHFFFAOYSA-OSynonyms
(2(4BUTYL2METHYL5OXOOXOLAN2YL)2OXOETHYL)(134THIADIAZOL2YL)AZANIUM
CC1(CC(C(=O)O1)CCCC)C(=O)C(NH2+)c1nncs1
CC1(CC(C(=O)O1)CCCC)C(=O)C(NH2+)c1nncs1(Br)
CCCCC1CC(OC1=O)(C)C(=O)C(NH2+)C2=NN=CS2
InChI=1SC13H19N3O3Sc13459613(21911(9)18)10(17)71412161582012h89H37H212H3(H1416)p+1
N(2(4butyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)134thiadiazol2aminium(nonpreferredname)
N(2(4butyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)134thiadiazol2aminiumbromide
ZINC000002295649
ZINC000002295652
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