Vitas-M small molecule compound

ethyl 6-({[(4E)-1-cyclopropyl-4-(4-methoxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK313455
SMILES CCOC(=O)C1=C(CSC2=N/C(=C/c3ccc(cc3)OC)/C(=O)N2C2CC2)N(C(=O)NC1c1ccccc1)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 C30H32N4O5S MW 560.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O5S/c1-4-33-24(25(28(36)39-5-2)26(32-29(33)37)20-9-7-6-8-10-20)18-40-30-31-23(27(35)34(30)21-13-14-21)17-19-11-15-22(38-3)16-12-19/h6-12,15-17,21,26H,4-5,13-14,18H2,1-3H3,(H,32,37)/b23-17+
InChIKey
UCQQEXFACSZCPH-HAVVHWLPSA-N
Synonyms
832741-84-1
832741841
CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NC(=CC4=CC=C(C=C4)OC)C(=O)N3C5CC5
CCOC(=O)C1=C(CSC2=NC(=Cc3ccc(cc3)OC)C(=O)N2C2CC2)N(C(=O)NC1c1ccccc1)CC
ethyl4(((4E)1cyclopropyl4((4methoxyphenyl)methylidene)5oxoimidazol2yl)sulfanylmethyl)3ethyl2oxo6phenyl16dihydropyrimidine5carboxylate
ethyl6((((4E)1cyclopropyl4(4methoxybenzylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)methyl)1ethyl2oxo4phenyl1234tetrahydropyrimidine5carboxylate
InChI=1SC30H32N4O5Sc143324(25(28(36)3952)26(3229(33)37)2097681020)1840303123(27(35)34(30)21131421)1719111522(383)161219h61215172126H45131418H213H3(H3237)b2317+
MFCD05667225
ZINC000002732381
ZINC000002732383

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Available files

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