Vitas-M small molecule compound

3-[(3,4-dichlorobenzyl)sulfanyl]-4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole

Catalog ID
STK466205
SMILES CCn1c(nnc1c1csc2c1CCCC2)SCc1ccc(c(c1)Cl)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 C19H19Cl2N3S2 MW 424.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19Cl2N3S2/c1-2-24-18(14-11-25-17-6-4-3-5-13(14)17)22-23-19(24)26-10-12-7-8-15(20)16(21)9-12/h7-9,11H,2-6,10H2,1H3
InChIKey
XEEVRNASDVXLQE-UHFFFAOYSA-N
Synonyms

3((34dichlorobenzyl)sulfanyl)4ethyl5(4567tetrahydro1benzothiophen3yl)4H124triazole
3((34dichlorophenyl)methylsulfanyl)4ethyl5(4567tetrahydro1benzothiophen3yl)124triazole
CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CSC4=C3CCCC4
InChI=1SC19H19Cl2N3S2c122418(14112517643513(14)17)222319(24)2610127815(20)16(21)912h7911H2610H21H3
MFCD06760176
ZINC000017093838
ZINC17093838

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Available files

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