Vitas-M small molecule compound
ethyl 2-[(3E)-3-[(4-butoxy-3-methylphenyl)(hydroxy)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL052161
SMILES CCCCOc1ccc(cc1C)/C(=C\1/C(c2ccc(cc2)C)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)/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 C30H32N2O6S MW 548.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O6S/c1-6-8-15-38-22-14-13-21(16-18(22)4)25(33)23-24(20-11-9-17(3)10-12-20)32(28(35)26(23)34)30-31-19(5)27(39-30)29(36)37-7-2/h9-14,16,24,33H,6-8,15H2,1-5H3/b25-23+InChIKey
DDENSBPNMAWEEO-WJTDDFOZSA-NSynonyms
371124-18-4371124184
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CC=C(C=C4)C)O)C
CCCCOc1ccc(cc1C)C(=C1C(c2ccc(cc2)C)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)O
ethyl2((3E)3((4butoxy3methylphenyl)(hydroxy)methylidene)2(4methylphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((3E)3((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)2(4METHYLPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC30H32N2O6Sc168153822141321(1618(22)4)25(33)2324(2011917(3)101220)32(28(35)26(23)34)303119(5)27(3930)29(36)3772h914162433H6815H215H3b2523+
MFCD05737930
ZINC000102889751
ZINC000102889752
Check stock
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Check stock on Vitas-MAvailable files
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