Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[1-(4-nitro-1H-pyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STL403430
SMILES CCC(n1ncc(c1)[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/c1-2-15(27-9-11(8-21-27)28(29)30)17-23-24-18(31-17)22-16-6-7-26(25-16)10-12-13(19)4-3-5-14(12)20/h3-9,15H,2,10H2,1H3,(H,22,24,25)InChIKey
TUSRQVSHDZIVAZ-UHFFFAOYSA-NSynonyms
1005661-77-71005661777
CCC(C1=NN=C(S1)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)N4C=C(C=N4)(N+)(=O)(O)
CCC(n1ncc(c1)(N+)(=O)(O))c1nnc(s1)Nc1ccn(n1)Cc1c(F)cccc1Cl
InChI=1SC18H16ClFN8O2Sc1215(27911(82127)28(29)30)17232418(3117)22166726(2516)101213(19)43514(12)20h3915H210H21H3(H222425)
MFCD04139814
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5(1(4nitropyrazol1yl)propyl)134thiadiazol2amine
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)5(1(4nitro1Hpyrazol1yl)propyl)134thiadiazol2amine
ZINC000002730152
ZINC000002730153
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