Vitas-M small molecule compound

3-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-1,2,4-triazol-4-amine

Catalog ID
STK842006
SMILES CC(Oc1ccc(cc1)CSc1nncn1N)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 C12H16N4OS MW 264.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4OS/c1-9(2)17-11-5-3-10(4-6-11)7-18-12-15-14-8-16(12)13/h3-6,8-9H,7,13H2,1-2H3
InChIKey
IDNVGYNFRFIJJH-UHFFFAOYSA-N
Synonyms
57736-70-6
3((4(propan2yloxy)benzyl)sulfanyl)4H124triazol4amine
3((4isopropoxybenzyl)thio)4H124triazol4amine
3((4PROPAN2YLOXYPHENYL)METHYLSULFANYL)124TRIAZOL4AMINE
3(4ISOPROPOXYBENZYLSULFANYL)(124)TRIAZOL4YLAMINE
57736706
CC(C)OC1=CC=C(C=C1)CSC2=NN=CN2N
InChI=1SC12H16N4OSc19(2)17115310(4611)718121514816(12)13h3689H713H212H3
MFCD01048994
ZINC000000179268
ZINC00179268
ZINC179268

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Available files

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