Vitas-M small molecule compound

3-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazole

Catalog ID
STK230618
SMILES COc1ccccc1OCCSc1nnc(n1C)COc1ccc2c(c1)CCCC2

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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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-26-22(16-29-19-12-11-17-7-3-4-8-18(17)15-19)24-25-23(26)30-14-13-28-21-10-6-5-9-20(21)27-2/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3
InChIKey
OEIXZLHILFZLBV-UHFFFAOYSA-N
Synonyms

3((2(2methoxyphenoxy)ethyl)sulfanyl)4methyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazole
3(2(2methoxyphenoxy)ethylsulfanyl)4methyl5(5678tetrahydronaphthalen2yloxymethyl)124triazole
CN1C(=NN=C1SCCOC2=CC=CC=C2OC)COC3=CC4=C(CCCC4)C=C3
InChI=1SC23H27N3O3Sc12622(162919121117734818(17)1519)242523(26)30141328211065920(21)272h5691215H3478131416H212H3
MFCD07790448
ZINC000004736061
ZINC04736061
ZINC4736061

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Available files

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