Vitas-M small molecule compound
ethyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK567659
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/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 C29H28N2O7S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7S/c1-5-36-28(35)26-16(4)30-29(39-26)31-23(18-8-6-17(7-9-18)15(2)3)22(25(33)27(31)34)24(32)19-10-11-20-21(14-19)38-13-12-37-20/h6-11,14-15,23,32H,5,12-13H2,1-4H3/b24-22+InChIKey
CHIANQSMUNBYCC-ZNTNEXAZSA-NSynonyms
573971-93-4573971934
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)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)OCCO3)O)C1c1ccc(cc1)C(C)C
ethyl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxo2(4(propan2yl)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)23DIOXO5(4PROPAN2YLPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC29H28N2O7Sc153628(35)2616(4)3029(3926)3123(188617(7918)15(2)3)22(25(33)27(31)34)24(32)1910112021(1419)3813123720h61114152332H51213H214H3b2422+
MFCD05736207
ZINC000102651557
ZINC000102651560
Check stock
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Check stock on Vitas-MAvailable files
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