Vitas-M small molecule compound
N-[1-(2-chlorobenzyl)-1H-pyrazol-3-yl]-5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STK311845
SMILES Clc1ccccc1Cn1ccc(n1)Nc1nnc(s1)C(n1nc(c(c1C)[N+](=O)[O-])C)C
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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 C19H19ClN8O2S MW 458.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN8O2S/c1-11-17(28(29)30)12(2)27(24-11)13(3)18-22-23-19(31-18)21-16-8-9-26(25-16)10-14-6-4-5-7-15(14)20/h4-9,13H,10H2,1-3H3,(H,21,23,25)InChIKey
DVHMZZVEMMCUDA-UHFFFAOYSA-NSynonyms
1005573-00-11005573001
CC1=C(C(=NN1C(C)C2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4Cl)C)(N+)(=O)(O)
Clc1ccccc1Cn1ccc(n1)Nc1nnc(s1)C(n1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC19H19ClN8O2Sc11117(28(29)30)12(2)27(2411)13(3)18222319(3118)21168926(2516)1014645715(14)20h4913H10H213H3(H212325)
MFCD04140184
N(1((2chlorophenyl)methyl)pyrazol3yl)5(1(35dimethyl4nitropyrazol1yl)ethyl)134thiadiazol2amine
N(1(2chlorobenzyl)1Hpyrazol3yl)5(1(35dimethyl4nitro1Hpyrazol1yl)ethyl)134thiadiazol2amine
ZINC000002730980
ZINC000002730981
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