Vitas-M small molecule compound
ethyl 2-({[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]carbonyl}amino)-5-ethylthiophene-3-carboxylate
Catalog ID
STK762608
SMILES CCOC(=O)c1cc(sc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(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 C27H30N4O5S MW 522.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5S/c1-3-21-17-22(27(33)36-4-2)26(37-21)28-25(32)20-10-11-23(24(16-20)31(34)35)30-14-12-29(13-15-30)18-19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15,18H2,1-2H3,(H,28,32)InChIKey
IWNNNMDGGSGDCK-UHFFFAOYSA-NSynonyms
309728-02-7309728027
CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)(N+)(=O)(O))C(=O)OCC
CCOC(=O)c1cc(sc1NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)Cc1ccccc1)CC
ethyl2(((4(4benzylpiperazin1yl)3nitrophenyl)carbonyl)amino)5ethylthiophene3carboxylate
ETHYL2((4(4BENZYLPIPERAZIN1YL)3NITROBENZOYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
ethyl2(4(4benzylpiperazin1yl)3nitrobenzamido)5ethylthiophene3carboxylate
ETHYL5ETHYL2((3NITRO4(4BENZYLPIPERAZINYL)PHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC27H30N4O5Sc13211722(27(33)3642)26(3721)2825(32)20101123(24(1620)31(34)35)30141229(131530)18198657919h5111617H34121518H212H3(H2832)
MFCD01872293
ZINC000054959668
ZINC54959668
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