Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STK312072
SMILES Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)Cn1cc(c(n1)C)[N+](=O)[O-])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/c1-10-14(27(28)29)8-26(23-10)9-16-21-22-17(30-16)20-15-5-6-25(24-15)7-11-12(18)3-2-4-13(11)19/h2-6,8H,7,9H2,1H3,(H,20,22,24)InChIKey
XDUBXVWYKMFHFX-UHFFFAOYSA-NSynonyms
1005576-38-41005576384
CC1=NN(C=C1(N+)(=O)(O))CC2=NN=C(S2)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F
Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)Cn1cc(c(n1)C)(N+)(=O)(O))Cl
InChI=1SC17H14ClFN8O2Sc11014(27(28)29)826(2310)916212217(3016)20155625(2415)71112(18)32413(11)19h268H79H21H3(H202224)
MFCD04140763
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5((3methyl4nitropyrazol1yl)methyl)134thiadiazol2amine
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)5((3methyl4nitro1Hpyrazol1yl)methyl)134thiadiazol2amine
ZINC000002731606
ZINC02731606
ZINC2731606
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