Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[1-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STL403120
SMILES CC(n1cc(c(n1)C)[N+](=O)[O-])c1nnc(s1)Nc1ccn(n1)Cc1c(F)cccc1Cl
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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 C18H16ClFN8O2S MW 462.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClFN8O2S/c1-10-15(28(29)30)9-27(24-10)11(2)17-22-23-18(31-17)21-16-6-7-26(25-16)8-12-13(19)4-3-5-14(12)20/h3-7,9,11H,8H2,1-2H3,(H,21,23,25)InChIKey
IOZJGYASIOKETR-UHFFFAOYSA-NSynonyms
1005611-16-41005611164
CC(n1cc(c(n1)C)(N+)(=O)(O))c1nnc(s1)Nc1ccn(n1)Cc1c(F)cccc1Cl
CC1=NN(C=C1(N+)(=O)(O))C(C)C2=NN=C(S2)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F
InChI=1SC18H16ClFN8O2Sc11015(28(29)30)927(2410)11(2)17222318(3117)21166726(2516)81213(19)43514(12)20h37911H8H212H3(H212325)
MFCD04140591
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5(1(3methyl4nitropyrazol1yl)ethyl)134thiadiazol2amine
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)5(1(3methyl4nitro1Hpyrazol1yl)ethyl)134thiadiazol2amine
ZINC000002731400
ZINC000002731401
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