Vitas-M small molecule compound

ethyl 2-({[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]carbonyl}amino)-5-ethylthiophene-3-carboxylate

Catalog ID
STK532490
SMILES CCOC(=O)c1cc(sc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)Cc1ccccc1)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/c1-3-22-18-23(28(33)36-4-2)27(37-22)29-26(32)21-10-11-24(25(17-21)31(34)35)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
IJVZQEXLNRBHNG-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)(N+)(=O)(O))C(=O)OCC
CCOC(=O)c1cc(sc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCC(CC1)Cc1ccccc1)CC
ethyl2(((4(4benzylpiperidin1yl)3nitrophenyl)carbonyl)amino)5ethylthiophene3carboxylate
ETHYL2((4(4BENZYLPIPERIDIN1YL)3NITROBENZOYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
ethyl2(4(4benzylpiperidin1yl)3nitrobenzamido)5ethylthiophene3carboxylate
InChI=1SC28H31N3O5Sc13221823(28(33)3642)27(3722)2926(32)21101124(25(1721)31(34)35)30141220(131530)16198657919h511171820H341216H212H3(H2932)
MFCD01957653
ZINC000006134726
ZINC06134726
ZINC6134726

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.