Vitas-M small molecule compound

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

Catalog ID
STL406070
SMILES Cn1c(SCCOc2ccc(c(c2)C)C)nnc1c1ccc2c(c1)OCCCO2

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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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-15-5-7-18(13-16(15)2)26-11-12-29-22-24-23-21(25(22)3)17-6-8-19-20(14-17)28-10-4-9-27-19/h5-8,13-14H,4,9-12H2,1-3H3
InChIKey
KWGAUNONEUNRIX-UHFFFAOYSA-N
Synonyms

3(34dihydro2H15benzodioxepin7yl)5((2(34dimethylphenoxy)ethyl)sulfanyl)4methyl4H124triazole
3(34dihydro2H15benzodioxepin7yl)5(2(34dimethylphenoxy)ethylsulfanyl)4methyl124triazole
CC1=C(C=C(C=C1)OCCSC2=NN=C(N2C)C3=CC4=C(C=C3)OCCCO4)C
InChI=1SC22H25N3O3Sc1155718(1316(15)2)2611122922242321(25(22)3)17681920(1417)2810492719h581314H4912H213H3
MFCD27220647
ZINC000021723244
ZINC21723244

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Available files

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