Vitas-M small molecule compound
ethyl 4-(4-benzylpiperazin-1-yl)-3-({[5-(3-nitrophenyl)furan-2-yl]carbonyl}amino)benzoate
Catalog ID
STK198563
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
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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 C31H30N4O6 MW 554.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O6/c1-2-40-31(37)24-11-12-27(34-17-15-33(16-18-34)21-22-7-4-3-5-8-22)26(20-24)32-30(36)29-14-13-28(41-29)23-9-6-10-25(19-23)35(38)39/h3-14,19-20H,2,15-18,21H2,1H3,(H,32,36)InChIKey
SSTVHCNXKXWZLR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O)
CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(o1)c1cccc(c1)(N+)(=O)(O))N1CCN(CC1)Cc1ccccc1
ETHYL4(4BENZYLPIPERAZIN1YL)3(((5(3NITROPHENYL)FURAN2YL)CARBONYL)AMINO)BENZOATE
ethyl4(4benzylpiperazin1yl)3((5(3nitrophenyl)furan2carbonyl)amino)benzoate
InChI=1SC31H30N4O6c124031(37)24111227(34171533(161834)21227435822)26(2024)3230(36)29141328(4129)23961025(1923)35(38)39h3141920H2151821H21H3(H3236)
MFCD06666093
ZINC000097995670
ZINC97995670
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