Vitas-M small molecule compound
2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Catalog ID
STK219163
SMILES CCn1c(CCCOc2ccc(cc2Cl)Cl)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 C21H20Cl2N4O4S MW 495.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N4O4S/c1-2-26-20(7-4-10-31-19-9-8-15(22)12-17(19)23)24-25-21(26)32-13-18(28)14-5-3-6-16(11-14)27(29)30/h3,5-6,8-9,11-12H,2,4,7,10,13H2,1H3InChIKey
ZNJDKNYDXCZPER-UHFFFAOYSA-NSynonyms
2((5(3(24DICHLOROPHENOXY)PROPYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(3(24DICHLOROPHENOXY)PROPYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CCCOC3=C(C=C(C=C3)Cl)Cl
CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H20Cl2N4O4Sc122620(741031199815(22)1217(19)23)242521(26)321318(28)1453616(1114)27(29)30h356891112H2471013H21H3
MFCD06006966
ZINC000002879739
ZINC02879739
ZINC2879739
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