Vitas-M small molecule compound
methyl 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
STK305289
SMILES COC(=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 C26H25N5O4S2 MW 535.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S2/c1-30-14-16(13-27-30)12-19-24(33)31(17-8-4-3-5-9-17)26(28-19)36-15-21(32)29-23-22(25(34)35-2)18-10-6-7-11-20(18)37-23/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(H,29,32)/b19-12+InChIKey
YPMSFRUSMKFZTN-XDHOZWIPSA-NSynonyms
1005660-26-31005660263
CN1C=C(C=N1)C=C2C(=O)N(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=CC=CC=C5
COC(=O)c1c(NC(=O)CSC2=NC(=Cc3cnn(c3)C)C(=O)N2c2ccccc2)sc2c1CCCC2
InChI=1SC26H25N5O4S2c1301416(132730)121924(33)31(178435917)26(2819)361521(32)292322(25(34)352)1810671120(18)3723h35891214H67101115H212H3(H2932)b1912+
methyl2(((((4E)4((1methyl1Hpyrazol4yl)methylidene)5oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((4E)4((1methylpyrazol4yl)methylidene)5oxo1phenylimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04050330
ZINC000002785759
ZINC2785759
Check stock
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