Vitas-M small molecule compound
ethyl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-5-(1-phenylethyl)thiophene-3-carboxylate
Catalog ID
STK956478
SMILES CCOC(=O)c1cc(sc1NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C)C(c1ccccc1)C
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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/c1-5-31-22(28)17-11-18(13(2)16-9-7-6-8-10-16)32-21(17)23-19(27)12-25-15(4)20(26(29)30)14(3)24-25/h6-11,13H,5,12H2,1-4H3,(H,23,27)InChIKey
RNJXLZJDMQDXCZ-UHFFFAOYSA-NSynonyms
512815-20-2512815202
CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)CN3C(=C(C(=N3)C)(N+)(=O)(O))C
CCOC(=O)c1cc(sc1NC(=O)Cn1nc(c(c1C)(N+)(=O)(O))C)C(c1ccccc1)C
ethyl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)5(1phenylethyl)thiophene3carboxylate
ETHYL2((2(35DIMETHYL4NITROPYRAZOL1YL)ACETYL)AMINO)5(1PHENYLETHYL)THIOPHENE3CARBOXYLATE
InChI=1SC22H24N4O5Sc153122(28)171118(13(2)1697681016)3221(17)2319(27)122515(4)20(26(29)30)14(3)2425h61113H512H214H3(H2327)
MFCD03075361
ZINC000002765005
ZINC000002765006
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