Vitas-M small molecule compound
ethyl 6-ethyl-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
STK305325
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(c3)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 C29H31N5O4S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4S2/c1-4-18-11-12-21-23(14-18)40-26(25(21)28(37)38-5-2)32-24(35)17-39-29-31-22(13-19-15-30-33(3)16-19)27(36)34(29)20-9-7-6-8-10-20/h6-10,13,15-16,18H,4-5,11-12,14,17H2,1-3H3,(H,32,35)/b22-13+InChIKey
JAJVNXFEGVQCJJ-LPYMAVHISA-NSynonyms
1005623-53-91005623539
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)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)CC
ethyl6ethyl2(((((4E)4((1methyl1Hpyrazol4yl)methylidene)5oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((2((4E)4((1methylpyrazol4yl)methylidene)5oxo1phenylimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H31N5O4S2c141811122123(1418)4026(25(21)28(37)3852)3224(35)1739293122(1319153033(3)1619)27(36)34(29)2097681020h61013151618H4511121417H213H3(H3235)b2213+
MFCD04050336
ZINC000002785879
ZINC000002785881
Check stock
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Check stock on Vitas-MAvailable files
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