Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STL397893
SMILES CC(n1nc(c(c1C)[N+](=O)[O-])C)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 C19H18ClFN8O2S MW 476.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClFN8O2S/c1-10-17(29(30)31)11(2)28(25-10)12(3)18-23-24-19(32-18)22-16-7-8-27(26-16)9-13-14(20)5-4-6-15(13)21/h4-8,12H,9H2,1-3H3,(H,22,24,26)InChIKey
BUWLCIJUZINXEV-UHFFFAOYSA-NSynonyms
1005667-88-81005667888
CC(n1nc(c(c1C)(N+)(=O)(O))C)c1nnc(s1)Nc1ccn(n1)Cc1c(F)cccc1Cl
CC1=C(C(=NN1C(C)C2=NN=C(S2)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F)C)(N+)(=O)(O)
InChI=1SC19H18ClFN8O2Sc11017(29(30)31)11(2)28(2510)12(3)18232419(3218)22167827(2616)91314(20)54615(13)21h4812H9H213H3(H222426)
MFCD04140574
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5(1(35dimethyl4nitropyrazol1yl)ethyl)134thiadiazol2amine
N(1(2CHLORO6FLUOROBENZYL)1HPYRAZOL3YL)5(1(35DIMETHYL4NITRO1HPYRAZOL1YL)ETHYL)134THIADIAZOL2AMINE
ZINC000002731386
ZINC000002731387
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