Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STL398772
SMILES Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)Cn1ncc(c1)[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 C16H12ClFN8O2S MW 434.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClFN8O2S/c17-12-2-1-3-13(18)11(12)8-24-5-4-14(23-24)20-16-22-21-15(29-16)9-25-7-10(6-19-25)26(27)28/h1-7H,8-9H2,(H,20,22,23)InChIKey
AVDSNIQODCCSJS-UHFFFAOYSA-NSynonyms
1005576-11-31005576113
C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)NC3=NN=C(S3)CN4C=C(C=N4)(N+)(=O)(O))F
Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)Cn1ncc(c1)(N+)(=O)(O))Cl
InChI=1SC16H12ClFN8O2Sc171221313(18)11(12)8245414(2324)2016222115(2916)925710(61925)26(27)28h17H89H2(H202223)
MFCD04140527
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5((4nitropyrazol1yl)methyl)134thiadiazol2amine
N(1(2CHLORO6FLUOROBENZYL)1HPYRAZOL3YL)5((4NITRO1HPYRAZOL1YL)METHYL)134THIADIAZOL2AMINE
ZINC000002731344
ZINC02731344
ZINC2731344
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