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]carbonothioyl}-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Catalog ID
STK345344
SMILES CCc1nnc2n1nc(s2)c1ccc(c(c1)C(=S)NC(=O)/C=C/c1ccc(cc1)C(C)C)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 C25H25N5OS2 MW 475.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5OS2/c1-5-21-27-28-25-30(21)29-24(33-25)19-10-6-16(4)20(14-19)23(32)26-22(31)13-9-17-7-11-18(12-8-17)15(2)3/h6-15H,5H2,1-4H3,(H,26,31,32)/b13-9+InChIKey
SPXIHQDNCBATAM-UKTHLTGXSA-NSynonyms
(2E)N((5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methylphenyl)carbonothioyl)3(4(propan2yl)phenyl)prop2enamide
(E)N(5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methylbenzenecarbothioyl)3(4propan2ylphenyl)prop2enamide
CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)C(=S)NC(=O)C=CC4=CC=C(C=C4)C(C)C
CCc1nnc2n1nc(s2)c1ccc(c(c1)C(=S)NC(=O)C=Cc1ccc(cc1)C(C)C)C
InChI=1SC25H25N5OS2c152127282530(21)2924(3325)1910616(4)20(1419)23(32)2622(31)1391771118(12817)15(2)3h615H5H214H3(H263132)b139+
MFCD09965039
ZINC000018210613
ZINC18210613
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