Vitas-M small molecule compound
(2E)-3-[5-(4-benzylpiperidin-1-yl)-1,2,3-thiadiazol-4-yl]-1-(thiophen-2-yl)prop-2-en-1-one
Catalog ID
STL439606
SMILES O=C(c1cccs1)/C=C/c1nnsc1N1CCC(CC1)Cc1ccccc1
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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 C21H21N3OS2 MW 395.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3OS2/c25-19(20-7-4-14-26-20)9-8-18-21(27-23-22-18)24-12-10-17(11-13-24)15-16-5-2-1-3-6-16/h1-9,14,17H,10-13,15H2/b9-8+InChIKey
LOIGCOQHDXMWPH-CMDGGOBGSA-NSynonyms
(2E)3(5(4benzylpiperidin1yl)123thiadiazol4yl)1(thiophen2yl)prop2en1one
(E)3(5(4BENZYLPIPERIDIN1YL)THIADIAZOL4YL)1THIOPHEN2YLPROP2EN1ONE
C1CN(CCC1CC2=CC=CC=C2)C3=C(N=NS3)C=CC(=O)C4=CC=CS4
InChI=1SC21H21N3OS2c2519(2074142620)981821(27232218)24121017(111324)15165213616h191417H101315H2b98+
MFCD06242642
O=C(c1cccs1)C=Cc1nnsc1N1CCC(CC1)Cc1ccccc1
ZINC000005242884
ZINC5242884
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