Vitas-M small molecule compound
ethyl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK570349
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
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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 C30H28N2O7S MW 560.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O7S/c1-5-12-38-21-9-7-8-18(15-21)24-23(25(33)19-10-11-22-20(14-19)13-16(3)39-22)26(34)28(35)32(24)30-31-17(4)27(40-30)29(36)37-6-2/h5,7-11,14-16,24,33H,1,6,12-13H2,2-4H3/b25-23+InChIKey
DSCIFORAMALDTG-WJTDDFOZSA-NSynonyms
862194-57-8862194578
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C2=O)C5=CC(=CC=C5)OCC=C)C
ethyl2((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)23DIOXO5(3PROP2ENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC30H28N2O7Sc1512382197818(1521)2423(25(33)1910112220(1419)1316(3)3922)26(34)28(35)32(24)303117(4)27(4030)29(36)3762h571114162433H161213H224H3b2523+
MFCD05733100
ZINC000101313701
ZINC000101313709
Check stock
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Check stock on Vitas-MAvailable files
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