Vitas-M small molecule compound
2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Catalog ID
STK219177
SMILES CCOc1cc(C)ccc1OCc1nnc(n1CC)SCC(=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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-4-25-21(13-31-19-10-9-15(3)11-20(19)30-5-2)23-24-22(25)32-14-18(27)16-7-6-8-17(12-16)26(28)29/h6-12H,4-5,13-14H2,1-3H3InChIKey
RKNPMGTXBLADLE-UHFFFAOYSA-NSynonyms
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)THIO)1(3NITROPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))COC3=C(C=C(C=C3)C)OCC
CCOc1cc(C)ccc1OCc1nnc(n1CC)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H24N4O5Sc142521(13311910915(3)1120(19)3052)232422(25)321418(27)1676817(1216)26(28)29h612H451314H213H3
MFCD06006982
ZINC000001064692
ZINC01064692
ZINC1064692
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