Vitas-M small molecule compound
N-{[5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl}-3-nitro-4-(piperidin-1-yl)benzamide
Catalog ID
STK398752
SMILES CCc1nnc2n1nc(s2)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)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 C25H26N8O3S2 MW 550.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N8O3S2/c1-3-21-28-29-25-32(21)30-23(38-25)17-8-7-15(2)18(13-17)26-24(37)27-22(34)16-9-10-19(20(14-16)33(35)36)31-11-5-4-6-12-31/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,26,27,34,37)InChIKey
PPEOECGYZMICCI-UHFFFAOYSA-NSynonyms
CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)(N+)(=O)(O)
CCc1nnc2n1nc(s2)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)C
InChI=1SC25H26N8O3S2c132128292532(21)3023(3825)178715(2)18(1317)2624(37)2722(34)1691019(20(1416)33(35)36)31115461231h7101314H361112H212H3(H226273437)
MFCD06625566
N((5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methylphenyl)carbamothioyl)3nitro4(piperidin1yl)benzamide
N((5(3ETHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)2METHYLPHENYL)CARBAMOTHIOYL)3NITRO4PIPERIDIN1YLBENZAMIDE
ZINC000059617165
ZINC59617165
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