Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

Catalog ID
STK257180
SMILES Cn1c(SCCOc2ccc(c(c2)C)C)nnc1c1ccc2c(c1)OCCO2

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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-14-4-6-17(12-15(14)2)25-10-11-28-21-23-22-20(24(21)3)16-5-7-18-19(13-16)27-9-8-26-18/h4-7,12-13H,8-11H2,1-3H3
InChIKey
DUTQMLZQTWABDN-UHFFFAOYSA-N
Synonyms

3(23DIHYDRO14BENZODIOXIN6YL)5((2(34DIMETHYLPHENOXY)ETHYL)SULFANYL)4METHYL4H124TRIAZOLE
3(23dihydro14benzodioxin6yl)5(2(34dimethylphenoxy)ethylsulfanyl)4methyl124triazole
CC1=C(C=C(C=C1)OCCSC2=NN=C(N2C)C3=CC4=C(C=C3)OCCO4)C
InChI=1SC21H23N3O3Sc1144617(1215(14)2)2510112821232220(24(21)3)16571819(1316)27982618h471213H811H213H3
MFCD08672379
ZINC000009356040
ZINC09356040
ZINC9356040

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Available files

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