Vitas-M small molecule compound
N-{3-[1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-methoxybenzamide
Catalog ID
STL092745
SMILES COc1ccc(cc1)C(=O)Nc1snc(n1)c1nnn(c1C)c1ccc(c(c1)Cl)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H17ClN6O2S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN6O2S/c1-11-4-7-14(10-16(11)21)27-12(2)17(24-26-27)18-22-20(30-25-18)23-19(28)13-5-8-15(29-3)9-6-13/h4-10H,1-3H3,(H,22,23,25,28)InChIKey
SPZAAXKLXKVYMR-UHFFFAOYSA-NSynonyms
895111-73-6895111736
CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=NSC(=N3)NC(=O)C4=CC=C(C=C4)OC)C)Cl
InChI=1SC20H17ClN6O2Sc1114714(1016(11)21)2712(2)17(242627)182220(302518)2319(28)135815(293)9613h410H13H3(H22232528)
MFCD14983275
N(3(1(3chloro4methylphenyl)5methyl1H123triazol4yl)124thiadiazol5yl)4methoxybenzamide
N(3(1(3chloro4methylphenyl)5methyltriazol4yl)124thiadiazol5yl)4methoxybenzamide
ZINC000009638609
ZINC9638609
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