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-dimethylthiophene-3-carboxylate
Catalog ID
STK305169
SMILES COCCCN1C(=N/C(=C/c2cnn(c2)C)/C1=O)SCC(=O)Nc1sc(c(c1C(=O)OCC)C)C
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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 C23H29N5O5S2 MW 519.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O5S2/c1-6-33-22(31)19-14(2)15(3)35-20(19)26-18(29)13-34-23-25-17(10-16-11-24-27(4)12-16)21(30)28(23)8-7-9-32-5/h10-12H,6-9,13H2,1-5H3,(H,26,29)/b17-10+InChIKey
OTSVSQIATXJJTJ-LICLKQGHSA-NSynonyms
1005670-90-51005670905
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=CC3=CN(N=C3)C)C(=O)N2CCCOC
COCCCN1C(=NC(=Cc2cnn(c2)C)C1=O)SCC(=O)Nc1sc(c(c1C(=O)OCC)C)C
ethyl2(((((4E)1(3methoxypropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ethyl2((2((4E)1(3methoxypropyl)4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetyl)amino)45dimethylthiophene3carboxylate
InChI=1SC23H29N5O5S2c163322(31)1914(2)15(3)3520(19)2618(29)1334232517(1016112427(4)1216)21(30)28(23)879325h1012H6913H215H3(H2629)b1710+
MFCD04050326
ZINC000013959455
ZINC13959455
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