Vitas-M small molecule compound
(2E)-N-{[5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
Catalog ID
STK344880
SMILES CCc1nnc2n1nc(s2)c1ccc(c(c1)NC(=S)NC(=O)/C=C/c1ccco1)C
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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 C20H18N6O2S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O2S2/c1-3-16-23-24-20-26(16)25-18(30-20)13-7-6-12(2)15(11-13)21-19(29)22-17(27)9-8-14-5-4-10-28-14/h4-11H,3H2,1-2H3,(H2,21,22,27,29)/b9-8+InChIKey
IXKVXCGTLKWLBI-CMDGGOBGSA-NSynonyms
(2E)N(((5(3ETHYL(124TRIAZOLO(34B)134THIADIAZOLIN6YL))2METHYLPHENYL)AMINO)THIOXOMETHYL)3(2FURYL)PROP2ENAMIDE
(2E)N((5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methylphenyl)carbamothioyl)3(furan2yl)prop2enamide
(E)N((5(3ETHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)2METHYLPHENYL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C=CC4=CC=CO4
CCc1nnc2n1nc(s2)c1ccc(c(c1)NC(=S)NC(=O)C=Cc1ccco1)C
InChI=1SC20H18N6O2S2c131623242026(16)2518(3020)137612(2)15(1113)2119(29)2217(27)981454102814h411H3H212H3(H221222729)b98+
MFCD05847843
ZINC000004125375
ZINC04125375
ZINC4125375
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