Vitas-M small molecule compound
prop-2-en-1-yl 2-{(3E)-2-(3-chlorophenyl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL054340
SMILES C=CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)Cl)/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C1=O
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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 C28H23ClN2O6S MW 551.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O6S/c1-4-10-36-27(35)25-15(3)30-28(38-25)31-22(16-6-5-7-19(29)13-16)21(24(33)26(31)34)23(32)17-8-9-20-18(12-17)11-14(2)37-20/h4-9,12-14,22,32H,1,10-11H2,2-3H3/b23-21+InChIKey
LJXBQFNXDZLCPG-XTQSDGFTSA-NSynonyms
893700-21-5893700215
C=CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)Cl)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OCC=C)C)C5=CC(=CC=C5)Cl)O
InChI=1SC28H23ClN2O6Sc14103627(35)2515(3)3028(3825)3122(1665719(29)1316)21(24(33)26(31)34)23(32)17892018(1217)1114(2)3720h4912142232H11011H223H3b2321+
MFCD05726427
prop2en1yl2((3E)2(3chlorophenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((3E)2(3CHLOROPHENYL)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000101278222
ZINC000101278226
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.