Vitas-M small molecule compound
2-({4-ethyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Catalog ID
STK251278
SMILES CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1cccc(c1)[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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-2-26-22(14-31-20-11-10-16-6-3-4-7-17(16)13-20)24-25-23(26)32-15-21(28)18-8-5-9-19(12-18)27(29)30/h5,8-13H,2-4,6-7,14-15H2,1H3InChIKey
QGWPUKXELRQNER-UHFFFAOYSA-NSynonyms
2((4ethyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((4ethyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))COC3=CC4=C(CCCC4)C=C3
CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H24N4O4Sc122622(143120111016634717(16)1320)242523(26)321521(28)1885919(1218)27(29)30h5813H24671415H21H3
MFCD08670421
ZINC000009699081
ZINC09699081
ZINC9699081
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