Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL406069
SMILES Cn1c(SCCOc2ccccc2)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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-23-19(15-8-9-17-18(14-15)26-11-5-10-25-17)21-22-20(23)27-13-12-24-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3InChIKey
PSDIINSBZCDUDJ-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7yl)4methyl5((2phenoxyethyl)sulfanyl)4H124triazole
3(34dihydro2H15benzodioxepin7yl)4methyl5(2phenoxyethylsulfanyl)124triazole
CN1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H21N3O3Sc12319(15891718(1415)26115102517)212220(23)27131224166324716h246914H51013H21H3
MFCD27220644
ZINC000021723237
ZINC21723237
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