Vitas-M small molecule compound
ethyl 2-{[({(4E)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4-phenylthiophene-3-carboxylate
Catalog ID
STL397049
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)CSC1=N/C(=C/c2cnn(c2C)C)/C(=O)N1CC
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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 C26H27N5O4S2 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O4S2/c1-5-31-24(33)20(12-18-13-27-30(4)16(18)3)28-26(31)37-15-21(32)29-23-22(25(34)35-6-2)19(14-36-23)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,29,32)/b20-12+InChIKey
AYWQZAVENWPQDQ-UDWIEESQSA-NSynonyms
1005636-81-61005636816
CCN1C(=O)C(=CC2=C(N(N=C2)C)C)N=C1SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)CSC1=NC(=Cc2cnn(c2C)C)C(=O)N1CC
ETHYL2(((((4E)4((15DIMETHYL1HPYRAZOL4YL)METHYLIDENE)1ETHYL5OXO45DIHYDRO1HIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ethyl2((2((4E)4((15dimethylpyrazol4yl)methylidene)1ethyl5oxoimidazol2yl)sulfanylacetyl)amino)4phenylthiophene3carboxylate
InChI=1SC26H27N5O4S2c153124(33)20(1218132730(4)16(18)3)2826(31)371521(32)292322(25(34)3562)19(143623)17108791117h714H5615H214H3(H2932)b2012+
MFCD04049466
ZINC000101612532
ZINC101612532
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