Vitas-M small molecule compound
ethyl 6-ethyl-2-{[({(4E)-1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305300
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(c3)C)/C(=O)N2CC(C)C)sc2c1CCC(C2)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 C27H35N5O4S2 MW 557.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5O4S2/c1-6-17-8-9-19-21(11-17)38-24(23(19)26(35)36-7-2)30-22(33)15-37-27-29-20(10-18-12-28-31(5)14-18)25(34)32(27)13-16(3)4/h10,12,14,16-17H,6-9,11,13,15H2,1-5H3,(H,30,33)/b20-10+InChIKey
KIHACNDRULYPOW-KEBDBYFISA-NSynonyms
1005660-42-31005660423
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC(=CC4=CN(N=C4)C)C(=O)N3CC(C)C
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cnn(c3)C)C(=O)N2CC(C)C)sc2c1CCC(C2)CC
ethyl6ethyl2(((((4E)1(2methylpropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((2((4E)1(2methylpropyl)4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H35N5O4S2c1617891921(1117)3824(23(19)26(35)3672)3022(33)1537272920(1018122831(5)1418)25(34)32(27)1316(3)4h1012141617H69111315H215H3(H3033)b2010+
MFCD04050315
ZINC000002785784
ZINC000002785786
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.