Vitas-M small molecule compound
ethyl (4Z)-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)furan-2-yl]methylidene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK085949
SMILES COCCN1C(=O)/C(=C\c2ccc(o2)CNC(=O)C(=O)Nc2ccc(cc2)C(=O)OCC)/C(=C1C)C(=O)OCC
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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 C28H31N3O9 MW 553.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O9/c1-5-38-27(35)18-7-9-19(10-8-18)30-25(33)24(32)29-16-21-12-11-20(40-21)15-22-23(28(36)39-6-2)17(3)31(26(22)34)13-14-37-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,29,32)(H,30,33)/b22-15-InChIKey
WSRKHGCYKYRYJY-JCMHNJIXSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)C=C3C(=C(N(C3=O)CCOC)C)C(=O)OCC
COCCN1C(=O)C(=Cc2ccc(o2)CNC(=O)C(=O)Nc2ccc(cc2)C(=O)OCC)C(=C1C)C(=O)OCC
ETHYL(4Z)4((5(((((4(ETHOXYCARBONYL)PHENYL)AMINO)(OXO)ACETYL)AMINO)METHYL)FURAN2YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(4Z)4((5(((2(4ETHOXYCARBONYLANILINO)2OXOACETYL)AMINO)METHYL)FURAN2YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
InChI=1SC28H31N3O9c153827(35)187919(10818)3025(33)24(32)291621121120(4021)152223(28(36)3962)17(3)31(26(22)34)1314374h71215H56131416H214H3(H2932)(H3033)b2215
MFCD08679491
STK085949
ZINC000097959134
ZINC97959134
Check stock
See real-time availability and sample size for STK085949 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.