Vitas-M small molecule compound

3-[(3-chloro-4-methoxybenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-amine

Catalog ID
STK543586
SMILES COc1ccc(cc1Cl)CSc1nnc(n1N)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 C11H13ClN4OS MW 284.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13ClN4OS/c1-7-14-15-11(16(7)13)18-6-8-3-4-10(17-2)9(12)5-8/h3-5H,6,13H2,1-2H3
InChIKey
YPOMQZBVPBUAJR-UHFFFAOYSA-N
Synonyms
331837-63-9
3((3chloro4methoxybenzyl)sulfanyl)5methyl4H124triazol4amine
3((3chloro4methoxybenzyl)thio)5methyl4H124triazol4amine
3((3CHLORO4METHOXYPHENYL)METHYLSULFANYL)5METHYL124TRIAZOL4AMINE
331837639
CC1=NN=C(N1N)SCC2=CC(=C(C=C2)OC)Cl
InChI=1SC11H13ClN4OSc17141511(16(7)13)18683410(172)9(12)58h35H613H212H3
MFCD01049010
ZINC000000535180
ZINC00535180
ZINC535180

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Available files

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