Vitas-M small molecule compound
ethyl 6-methyl-2-{[({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305164
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(c3)C)/C(=O)N2c2ccccc2)sc2c1CCC(C2)C
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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 C28H29N5O4S2 MW 563.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S2/c1-4-37-27(36)24-20-11-10-17(2)12-22(20)39-25(24)31-23(34)16-38-28-30-21(13-18-14-29-32(3)15-18)26(35)33(28)19-8-6-5-7-9-19/h5-9,13-15,17H,4,10-12,16H2,1-3H3,(H,31,34)/b21-13+InChIKey
SHSNTRAFTQLMPS-FYJGNVAPSA-NSynonyms
1005606-95-01005606950
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC(=CC4=CN(N=C4)C)C(=O)N3C5=CC=CC=C5
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cnn(c3)C)C(=O)N2c2ccccc2)sc2c1CCC(C2)C
ethyl6methyl2(((((4E)4((1methyl1Hpyrazol4yl)methylidene)5oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((2((4E)4((1methylpyrazol4yl)methylidene)5oxo1phenylimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H29N5O4S2c143727(36)2420111017(2)1222(20)3925(24)3123(34)1638283021(1318142932(3)1518)26(35)33(28)198657919h59131517H4101216H213H3(H3134)b2113+
MFCD04050337
ZINC000002785056
ZINC000102000280
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.