Vitas-M small molecule compound
ethyl 6-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
STK305338
SMILES COCCCN1C(=N/C(=C/c2cnn(c2)C)/C1=O)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCC(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 C27H35N5O5S2 MW 573.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5O5S2/c1-5-17-8-9-19-21(13-17)39-24(23(19)26(35)37-6-2)30-22(33)16-38-27-29-20(12-18-14-28-31(3)15-18)25(34)32(27)10-7-11-36-4/h12,14-15,17H,5-11,13,16H2,1-4H3,(H,30,33)/b20-12+InChIKey
AKMMCIGGPUYUHY-UDWIEESQSA-NSynonyms
1005661-17-51005661175
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)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)CCC(C2)CC
ethyl6ethyl2(((((4E)1(3methoxypropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((2((4E)1(3methoxypropyl)4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H35N5O5S2c1517891921(1317)3924(23(19)26(35)3762)3022(33)1638272920(1218142831(3)1518)25(34)32(27)10711364h12141517H5111316H214H3(H3033)b2012+
MFCD04050329
ZINC000102000852
ZINC000102000858
Check stock
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