Vitas-M small molecule compound

3-[(4-bromobenzyl)sulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazole

Catalog ID
STK279328
SMILES Brc1ccc(cc1)CSc1nnc(n1C)c1ccc2c(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 C18H16BrN3O2S MW 418.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O2S/c1-22-17(13-4-7-15-16(10-13)24-9-8-23-15)20-21-18(22)25-11-12-2-5-14(19)6-3-12/h2-7,10H,8-9,11H2,1H3
InChIKey
AEACPHNOWPTCKI-UHFFFAOYSA-N
Synonyms

3((4BROMOBENZYL)SULFANYL)5(23DIHYDRO14BENZODIOXIN6YL)4METHYL4H124TRIAZOLE
3((4bromophenyl)methylsulfanyl)5(23dihydro14benzodioxin6yl)4methyl124triazole
CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCCO4
InChI=1SC18H16BrN3O2Sc12217(13471516(1013)24982315)202118(22)2511122514(19)6312h2710H8911H21H3
MFCD09269766
ZINC000009096194
ZINC09096194
ZINC9096194

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Available files

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