Vitas-M small molecule compound

3-(5-chloro-2-methoxyphenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK787444
SMILES COc1ccc(cc1c1nnc2n1nc(s2)c1ccccc1C)Cl

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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 C17H13ClN4OS MW 356.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4OS/c1-10-5-3-4-6-12(10)16-21-22-15(19-20-17(22)24-16)13-9-11(18)7-8-14(13)23-2/h3-9H,1-2H3
InChIKey
LGNGGCAQXRGOND-UHFFFAOYSA-N
Synonyms
1010914-00-7
1010914007
3(5CHLORO2METHOXYPHENYL)6(2METHYLPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(5chloro2methoxyphenyl)6(otolyl)(124)triazolo(34b)(134)thiadiazole
CC1=CC=CC=C1C2=NN3C(=NN=C3S2)C4=C(C=CC(=C4)Cl)OC
InChI=1SC17H13ClN4OSc110534612(10)16212215(192017(22)2416)13911(18)7814(13)232h39H12H3
MFCD10039274
ZINC000012390833
ZINC12390833

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Available files

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