Vitas-M small molecule compound

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

Catalog ID
STL394725
SMILES Clc1ccccc1Cn1ccc(n1)Nc1nnc(s1)CCn1nc(cc1C)[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/c1-12-10-16(27(28)29)24-26(12)9-7-17-21-22-18(30-17)20-15-6-8-25(23-15)11-13-4-2-3-5-14(13)19/h2-6,8,10H,7,9,11H2,1H3,(H,20,22,23)
InChIKey
NBTMDZKVCFJSQM-UHFFFAOYSA-N
Synonyms
1005662-04-3
1005662043
CC1=CC(=NN1CCC2=NN=C(S2)NC3=NN(C=C3)CC4=CC=CC=C4Cl)(N+)(=O)(O)
Clc1ccccc1Cn1ccc(n1)Nc1nnc(s1)CCn1nc(cc1C)(N+)(=O)(O)
InChI=1SC18H17ClN8O2Sc1121016(27(28)29)2426(12)9717212218(3017)20156825(2315)1113423514(13)19h26810H7911H21H3(H202223)
MFCD04139924
N(1((2chlorophenyl)methyl)pyrazol3yl)5(2(5methyl3nitropyrazol1yl)ethyl)134thiadiazol2amine
N(1(2CHLOROBENZYL)1HPYRAZOL3YL)5(2(5METHYL3NITRO1HPYRAZOL1YL)ETHYL)134THIADIAZOL2AMINE
ZINC000002730687
ZINC02730687
ZINC2730687

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Available files

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