Vitas-M small molecule compound

N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine

Catalog ID
STK311870
SMILES Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)Cn1ccc(n1)[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/c17-11-2-1-3-12(18)10(11)8-24-6-4-13(22-24)19-16-21-20-15(29-16)9-25-7-5-14(23-25)26(27)28/h1-7H,8-9H2,(H,19,21,22)
InChIKey
RYPQBNREZPHHSQ-UHFFFAOYSA-N
Synonyms
1005666-87-4
1005666874
C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)NC3=NN=C(S3)CN4C=CC(=N4)(N+)(=O)(O))F
Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)Cn1ccc(n1)(N+)(=O)(O))Cl
InChI=1SC16H12ClFN8O2Sc171121312(18)10(11)8246413(2224)1916212015(2916)9257514(2325)26(27)28h17H89H2(H192122)
MFCD04140243
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5((3nitropyrazol1yl)methyl)134thiadiazol2amine
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)5((3nitro1Hpyrazol1yl)methyl)134thiadiazol2amine
ZINC000002731042
ZINC02731042
ZINC2731042

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Available files

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