Vitas-M small molecule compound
ethyl 2-{(3E)-2-[3-(benzyloxy)phenyl]-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL054210
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)OCc1ccccc1
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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 C33H28N2O8S MW 612.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O8S/c1-3-40-32(39)30-19(2)34-33(44-30)35-27(21-10-7-11-23(16-21)43-18-20-8-5-4-6-9-20)26(29(37)31(35)38)28(36)22-12-13-24-25(17-22)42-15-14-41-24/h4-13,16-17,27,36H,3,14-15,18H2,1-2H3/b28-26+InChIKey
GNOXBHNFHVRHAE-BYCLXTJYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)OCC6=CC=CC=C6)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)OCc1ccccc1
ethyl2((3E)2(3(benzyloxy)phenyl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)23DIOXO5(3PHENYLMETHOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC33H28N2O8Sc134032(39)3019(2)3433(4430)3527(211071123(1621)4318208546920)26(29(37)31(35)38)28(36)2212132425(1722)4215144124h41316172736H3141518H212H3b2826+
MFCD05735952
ZINC000102893693
ZINC000102893695
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.