Vitas-M small molecule compound
2-[(4-methyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
Catalog ID
STK245586
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C)COc1ccc2c(c1C)cccc2
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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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-15-19-9-4-3-6-16(19)10-11-21(15)31-13-22-24-25-23(26(22)2)32-14-20(28)17-7-5-8-18(12-17)27(29)30/h3-12H,13-14H2,1-2H3InChIKey
BWWYDPJJIVQSDH-UHFFFAOYSA-NSynonyms
2((4METHYL5(((1METHYLNAPHTHALEN2YL)OXY)METHYL)4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((4METHYL5((1METHYLNAPHTHALEN2YL)OXYMETHYL)124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
CC1=C(C=CC2=CC=CC=C12)OCC3=NN=C(N3C)SCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC23H20N4O4Sc11519943616(19)101121(15)311322242523(26(22)2)321420(28)1775818(1217)27(29)30h312H1314H212H3
MFCD08670201
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nnc(n1C)COc1ccc2c(c1C)cccc2
ZINC000009327571
ZINC09327571
ZINC9327571
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