Vitas-M small molecule compound

3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole

Catalog ID
STK401198
SMILES Cn1c(SCc2ccc(c(c2)Cl)Cl)nnc1Cc1cccs1

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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 C15H13Cl2N3S2 MW 370.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13Cl2N3S2/c1-20-14(8-11-3-2-6-21-11)18-19-15(20)22-9-10-4-5-12(16)13(17)7-10/h2-7H,8-9H2,1H3
InChIKey
UWIVXCAKAVIIHN-UHFFFAOYSA-N
Synonyms

3((34dichlorobenzyl)sulfanyl)4methyl5(thiophen2ylmethyl)4H124triazole
3((34dichlorophenyl)methylsulfanyl)4methyl5(thiophen2ylmethyl)124triazole
3((34DICHLOROPHENYL)METHYLTHIO)4METHYL5(2THIENYLMETHYL)124TRIAZOLE
CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CS3
InChI=1SC15H13Cl2N3S2c12014(8113262111)181915(20)229104512(16)13(17)710h27H89H21H3
MFCD07034714
ZINC000009393100
ZINC09393100
ZINC9393100

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Available files

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