Vitas-M small molecule compound

3-[(2,5-dimethylphenoxy)methyl]-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

Catalog ID
STK230261
SMILES COc1ccccc1OCCSc1nnc(n1C)COc1cc(C)ccc1C

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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 C21H25N3O3S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S/c1-15-9-10-16(2)19(13-15)27-14-20-22-23-21(24(20)3)28-12-11-26-18-8-6-5-7-17(18)25-4/h5-10,13H,11-12,14H2,1-4H3
InChIKey
XLGXZRJXBBZMTD-UHFFFAOYSA-N
Synonyms

3((25DIMETHYLPHENOXY)METHYL)5((2(2METHOXYPHENOXY)ETHYL)SULFANYL)4METHYL4H124TRIAZOLE
3((25DIMETHYLPHENOXY)METHYL)5(2(2METHOXYPHENOXY)ETHYLSULFANYL)4METHYL124TRIAZOLE
CC1=CC(=C(C=C1)C)OCC2=NN=C(N2C)SCCOC3=CC=CC=C3OC
InChI=1SC21H25N3O3Sc11591016(2)19(1315)271420222321(24(20)3)2812112618865717(18)254h51013H111214H214H3
MFCD07790425
ZINC000004735900
ZINC04735900
ZINC4735900

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Available files

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