Vitas-M small molecule compound
ethyl 2-({[2-(4-benzylpiperidin-1-yl)-5-nitrophenyl]carbonyl}amino)-5-ethylthiophene-3-carboxylate
Catalog ID
STK762607
SMILES CCOC(=O)c1cc(sc1NC(=O)c1cc(ccc1N1CCC(CC1)Cc1ccccc1)[N+](=O)[O-])CC
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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 C28H31N3O5S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5S/c1-3-22-18-24(28(33)36-4-2)27(37-22)29-26(32)23-17-21(31(34)35)10-11-25(23)30-14-12-20(13-15-30)16-19-8-6-5-7-9-19/h5-11,17-18,20H,3-4,12-16H2,1-2H3,(H,29,32)InChIKey
IZLOIPJFLQAWKP-UHFFFAOYSA-NSynonyms
309728-01-6309728016
CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))N3CCC(CC3)CC4=CC=CC=C4)C(=O)OCC
CCOC(=O)c1cc(sc1NC(=O)c1cc(ccc1N1CCC(CC1)Cc1ccccc1)(N+)(=O)(O))CC
ethyl2(((2(4benzylpiperidin1yl)5nitrophenyl)carbonyl)amino)5ethylthiophene3carboxylate
ETHYL2((2(4BENZYLPIPERIDIN1YL)5NITROBENZOYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
ethyl2(2(4benzylpiperidin1yl)5nitrobenzamido)5ethylthiophene3carboxylate
ETHYL5ETHYL2((5NITRO2(4BENZYLPIPERIDYL)PHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC28H31N3O5Sc13221824(28(33)3642)27(3722)2926(32)231721(31(34)35)101125(23)30141220(131530)16198657919h511171820H341216H212H3(H2932)
MFCD01872292
ZINC000008857516
ZINC08857516
ZINC8857516
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