Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
Catalog ID
STK311866
SMILES Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)c1nn(c(c1[N+](=O)[O-])C)C)Cl
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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 C17H14ClFN8O2S MW 448.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClFN8O2S/c1-9-15(27(28)29)14(24-25(9)2)16-21-22-17(30-16)20-13-6-7-26(23-13)8-10-11(18)4-3-5-12(10)19/h3-7H,8H2,1-2H3,(H,20,22,23)InChIKey
TUUGXIYJJOEBJU-UHFFFAOYSA-NSynonyms
1005666-79-41005666794
CC1=C(C(=NN1C)C2=NN=C(S2)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F)(N+)(=O)(O)
Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)c1nn(c(c1(N+)(=O)(O))C)C)Cl
InChI=1SC17H14ClFN8O2Sc1915(27(28)29)14(2425(9)2)16212217(3016)20136726(2313)81011(18)43512(10)19h37H8H212H3(H202223)
MFCD04140230
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5(15dimethyl4nitropyrazol3yl)134thiadiazol2amine
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)5(15dimethyl4nitro1Hpyrazol3yl)134thiadiazol2amine
ZINC000002731031
ZINC02731031
ZINC2731031
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