Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STL402385
SMILES Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)CCn1cc(c(n1)C)[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 C18H16ClFN8O2S MW 462.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClFN8O2S/c1-11-15(28(29)30)10-27(24-11)8-6-17-22-23-18(31-17)21-16-5-7-26(25-16)9-12-13(19)3-2-4-14(12)20/h2-5,7,10H,6,8-9H2,1H3,(H,21,23,25)InChIKey
XGGKAEFDHXIWQK-UHFFFAOYSA-NSynonyms
1005610-39-81005610398
CC1=NN(C=C1(N+)(=O)(O))CCC2=NN=C(S2)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F
Fc1cccc(c1Cn1ccc(n1)Nc1nnc(s1)CCn1cc(c(n1)C)(N+)(=O)(O))Cl
InChI=1SC18H16ClFN8O2Sc11115(28(29)30)1027(2411)8617222318(3117)21165726(2516)91213(19)32414(12)20h25710H689H21H3(H212325)
MFCD04140274
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)5(2(3methyl4nitropyrazol1yl)ethyl)134thiadiazol2amine
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)5(2(3methyl4nitro1Hpyrazol1yl)ethyl)134thiadiazol2amine
ZINC000002731074
ZINC02731074
ZINC2731074
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