Vitas-M small molecule compound

N-[1-(2-chlorobenzyl)-1H-pyrazol-3-yl]-5-[1-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine

Catalog ID
STL402456
SMILES CC(c1nnc(s1)Nc1ccn(n1)Cc1ccccc1Cl)Cn1ncc(c1)[N+](=O)[O-]

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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/c1-12(9-26-11-14(8-20-26)27(28)29)17-22-23-18(30-17)21-16-6-7-25(24-16)10-13-4-2-3-5-15(13)19/h2-8,11-12H,9-10H2,1H3,(H,21,23,24)
InChIKey
JTPWPHDXHFWXCK-UHFFFAOYSA-N
Synonyms
1005610-53-6
1005610536
CC(c1nnc(s1)Nc1ccn(n1)Cc1ccccc1Cl)Cn1ncc(c1)(N+)(=O)(O)
CC(CN1C=C(C=N1)(N+)(=O)(O))C2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4Cl
InChI=1SC18H17ClN8O2Sc112(9261114(82026)27(28)29)17222318(3017)21166725(2416)1013423515(13)19h281112H910H21H3(H212324)
MFCD04140318
N(1((2chlorophenyl)methyl)pyrazol3yl)5(1(4nitropyrazol1yl)propan2yl)134thiadiazol2amine
N(1(2chlorobenzyl)1Hpyrazol3yl)5(1(4nitro1Hpyrazol1yl)propan2yl)134thiadiazol2amine
ZINC000002731123
ZINC000002731124

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Available files

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