Vitas-M small molecule compound
ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305232
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cn(nc3C)C)/C(=O)N2c2ccccc2)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 C30H33N5O4S2 MW 591.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O4S2/c1-5-19-12-13-22-24(14-19)41-27(26(22)29(38)39-6-2)32-25(36)17-40-30-31-23(15-20-16-34(4)33-18(20)3)28(37)35(30)21-10-8-7-9-11-21/h7-11,15-16,19H,5-6,12-14,17H2,1-4H3,(H,32,36)/b23-15+InChIKey
FIQYTOBOONSKGL-HZHRSRAPSA-NSynonyms
1005607-86-21005607862
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC(=CC4=CN(N=C4C)C)C(=O)N3C5=CC=CC=C5
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cn(nc3C)C)C(=O)N2c2ccccc2)sc2c1CCC(C2)CC
ethyl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)5oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4E)4((13dimethylpyrazol4yl)methylidene)5oxo1phenylimidazol2yl)sulfanylacetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC30H33N5O4S2c151912132224(1419)4127(26(22)29(38)3962)3225(36)1740303123(15201634(4)3318(20)3)28(37)35(30)21108791121h711151619H56121417H214H3(H3236)b2315+
MFCD04050338
ZINC000002785554
ZINC000002785556
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.