Vitas-M small molecule compound
ethyl 2-{[({(4E)-1-(3-methoxypropyl)-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
STL400243
SMILES COCCCN1C(=N/C(=C/c2cnn(c2)C)/C1=O)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
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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 C25H31N5O5S2 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O5S2/c1-4-35-24(33)21-17-8-5-6-9-19(17)37-22(21)28-20(31)15-36-25-27-18(12-16-13-26-29(2)14-16)23(32)30(25)10-7-11-34-3/h12-14H,4-11,15H2,1-3H3,(H,28,31)/b18-12+InChIKey
YKIPSUKYUSWVMG-LDADJPATSA-NSynonyms
1005555-24-71005555247
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC4=CN(N=C4)C)C(=O)N3CCCOC
COCCCN1C(=NC(=Cc2cnn(c2)C)C1=O)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
ethyl2(((((4E)1(3methoxypropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4E)1(3methoxypropyl)4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H31N5O5S2c143524(33)2117856919(17)3722(21)2820(31)1536252718(1216132629(2)1416)23(32)30(25)10711343h1214H41115H213H3(H2831)b1812+
MFCD04050456
ZINC000101610725
ZINC101610725
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