Vitas-M small molecule compound
4-ethyl-3-[(4-nitrobenzyl)sulfanyl]-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazole
Catalog ID
STK251443
SMILES CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCc1ccc(cc1)[N+](=O)[O-]
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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 C22H24N4O3S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S/c1-2-25-21(14-29-20-12-9-17-5-3-4-6-18(17)13-20)23-24-22(25)30-15-16-7-10-19(11-8-16)26(27)28/h7-13H,2-6,14-15H2,1H3InChIKey
PTLRLBMFDLPKQM-UHFFFAOYSA-NSynonyms
4ethyl3((4nitrobenzyl)sulfanyl)5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazole
4ethyl3((4nitrophenyl)methylsulfanyl)5(5678tetrahydronaphthalen2yloxymethyl)124triazole
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))COC3=CC4=C(CCCC4)C=C3
CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H24N4O3Sc122521(14292012917534618(17)1320)232422(25)30151671019(11816)26(27)28h713H261415H21H3
MFCD08670929
ZINC000009699404
ZINC09699404
ZINC9699404
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