Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Catalog ID
STK133973
SMILES CCC(c1nnc(s1)NC(=O)/C=C/c1ccc2c(c1)OCO2)CC
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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 C17H19N3O3S MW 345.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O3S/c1-3-12(4-2)16-19-20-17(24-16)18-15(21)8-6-11-5-7-13-14(9-11)23-10-22-13/h5-9,12H,3-4,10H2,1-2H3,(H,18,20,21)/b8-6+InChIKey
QJUKDHWWFGKZEB-SOFGYWHQSA-NSynonyms
600149-38-0(2E)3(13BENZODIOXOL5YL)N(5(PENTAN3YL)134THIADIAZOL2YL)PROP2ENAMIDE
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(5(ETHYLPROPYL)(134THIADIAZOL2YL))PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(5PENTAN3YL134THIADIAZOL2YL)PROP2ENAMIDE
600149380
CCC(c1nnc(s1)NC(=O)C=Cc1ccc2c(c1)OCO2)CC
CCC(CC)C1=NN=C(S1)NC(=O)C=CC2=CC3=C(C=C2)OCO3
InChI=1SC17H19N3O3Sc1312(42)16192017(2416)1815(21)8611571314(911)23102213h5912H3410H212H3(H182021)b86+
MFCD03930232
ZINC000004680837
ZINC04680837
ZINC4680837
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