Vitas-M small molecule compound
ethyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305224
SMILES COCCCN1C(=N/C(=C/c2cn(nc2C)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 C26H33N5O5S2 MW 559.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O5S2/c1-5-36-25(34)22-18-9-6-7-10-20(18)38-23(22)28-21(32)15-37-26-27-19(13-17-14-30(3)29-16(17)2)24(33)31(26)11-8-12-35-4/h13-14H,5-12,15H2,1-4H3,(H,28,32)/b19-13+InChIKey
HMQWYVFRZHCCKE-CPNJWEJPSA-NSynonyms
1005640-93-61005640936
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC4=CN(N=C4C)C)C(=O)N3CCCOC
COCCCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
ethyl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1(3methoxypropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4E)4((13dimethylpyrazol4yl)methylidene)1(3methoxypropyl)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H33N5O5S2c153625(34)22189671020(18)3823(22)2821(32)1537262719(13171430(3)2916(17)2)24(33)31(26)11812354h1314H51215H214H3(H2832)b1913+
MFCD04050461
ZINC000102000459
ZINC102000459
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