Vitas-M small molecule compound
ethyl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL053002
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(cc1)C(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 C30H30N2O6S MW 546.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O6S/c1-6-37-29(36)27-17(5)31-30(39-27)32-24(19-9-7-18(8-10-19)15(2)3)23(26(34)28(32)35)25(33)20-11-12-22-21(14-20)13-16(4)38-22/h7-12,14-16,24,33H,6,13H2,1-5H3/b25-23+InChIKey
FYKAOPJNFUYTGC-WJTDDFOZSA-NSynonyms
862199-93-7862199937
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=C(C=C5)C(C)C)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(cc1)C(C)C
ethyl2((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxo2(4(propan2yl)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)23DIOXO5(4PROPAN2YLPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC30H30N2O6Sc163729(36)2717(5)3130(3927)3224(199718(81019)15(2)3)23(26(34)28(32)35)25(33)2011122221(1420)1316(4)3822h71214162433H613H215H3b2523+
MFCD05733313
ZINC000102891477
ZINC000102891484
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.