Vitas-M small molecule compound

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK956334
SMILES COc1ccccc1n1c(S)nnc1c1nn(cc1Cl)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 C13H12ClN5OS MW 321.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN5OS/c1-18-7-8(14)11(17-18)12-15-16-13(21)19(12)9-5-3-4-6-10(9)20-2/h3-7H,1-2H3,(H,16,21)
InChIKey
UKWKMNSRDOBEBB-UHFFFAOYSA-N
Synonyms
494790-63-5
3(4CHLORO1METHYLPYRAZOL3YL)4(2METHOXYPHENYL)1H124TRIAZOLE5THIONE
494790635
5(4chloro1methyl1Hpyrazol3yl)4(2methoxyphenyl)4H124triazole3thiol
CN1C=C(C(=N1)C2=NNC(=S)N2C3=CC=CC=C3OC)Cl
InChI=1SC13H12ClN5OSc11878(14)11(1718)12151613(21)19(12)9534610(9)202h37H12H3(H1621)
MFCD03075130
ZINC000005687854
ZINC5687854

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.