Vitas-M small molecule compound
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
STK305222
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(c3)C)/C(=O)N2c2ccccc2)sc2c1CCCC2
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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 C27H27N5O4S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S2/c1-3-36-26(35)23-19-11-7-8-12-21(19)38-24(23)30-22(33)16-37-27-29-20(13-17-14-28-31(2)15-17)25(34)32(27)18-9-5-4-6-10-18/h4-6,9-10,13-15H,3,7-8,11-12,16H2,1-2H3,(H,30,33)/b20-13+InChIKey
SJURYLCBVJIFKO-DEDYPNTBSA-NSynonyms
1005671-61-31005671613
CCOC(=O)C1=C(SC2=C1CCCC2)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)sc2c1CCCC2
ethyl2(((((4E)4((1methyl1Hpyrazol4yl)methylidene)5oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4E)4((1methylpyrazol4yl)methylidene)5oxo1phenylimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H27N5O4S2c133626(35)231911781221(19)3824(23)3022(33)1637272920(1317142831(2)1517)25(34)32(27)1895461018h469101315H378111216H212H3(H3033)b2013+
MFCD04050333
ZINC000002785505
ZINC2785505
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