Vitas-M small molecule compound
N-[1-(2-chlorobenzyl)-1H-pyrazol-3-yl]-5-[1-(4-nitro-1H-pyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine
Catalog ID
STK313436
SMILES CCC(n1ncc(c1)[N+](=O)[O-])c1nnc(s1)Nc1ccn(n1)Cc1ccccc1Cl
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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 C18H17ClN8O2S MW 444.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN8O2S/c1-2-15(26-11-13(9-20-26)27(28)29)17-22-23-18(30-17)21-16-7-8-25(24-16)10-12-5-3-4-6-14(12)19/h3-9,11,15H,2,10H2,1H3,(H,21,23,24)InChIKey
HDPDPBOYNGXACK-UHFFFAOYSA-NSynonyms
1005577-63-81005577638
CCC(C1=NN=C(S1)NC2=NN(C=C2)CC3=CC=CC=C3Cl)N4C=C(C=N4)(N+)(=O)(O)
CCC(n1ncc(c1)(N+)(=O)(O))c1nnc(s1)Nc1ccn(n1)Cc1ccccc1Cl
InChI=1SC18H17ClN8O2Sc1215(261113(92026)27(28)29)17222318(3017)21167825(2416)1012534614(12)19h391115H210H21H3(H212324)
MFCD04140924
N(1((2chlorophenyl)methyl)pyrazol3yl)5(1(4nitropyrazol1yl)propyl)134thiadiazol2amine
N(1(2chlorobenzyl)1Hpyrazol3yl)5(1(4nitro1Hpyrazol1yl)propyl)134thiadiazol2amine
ZINC000002732299
ZINC000002732300
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