Vitas-M small molecule compound

5-{[(3,4-dichlorobenzyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK136608
SMILES Clc1ccc(cc1Cl)CSCc1nnc(n1C)S

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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 C11H11Cl2N3S2 MW 320.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11Cl2N3S2/c1-16-10(14-15-11(16)17)6-18-5-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3,(H,15,17)
InChIKey
ALHHNXZDQZLLQC-UHFFFAOYSA-N
Synonyms

3((34DICHLOROPHENYL)METHYLSULFANYLMETHYL)4METHYL1H124TRIAZOLE5THIONE
5(((34DICHLOROBENZYL)SULFANYL)METHYL)4METHYL4H124TRIAZOL3YLHYDROSULFIDE
5(((34DICHLOROBENZYL)SULFANYL)METHYL)4METHYL4H124TRIAZOLE3THIOL
CN1C(=NNC1=S)CSCC2=CC(=C(C=C2)Cl)Cl
InChI=1SC11H11Cl2N3S2c11610(141511(16)17)61857238(12)9(13)47h24H56H21H3(H1517)
MFCD04151647
ZINC000006557182
ZINC06557182
ZINC6557182

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Available files

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