Vitas-M small molecule compound
methyl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK569286
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
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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 C29H26N2O7S MW 546.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O7S/c1-5-11-37-20-8-6-7-17(14-20)23-22(24(32)18-9-10-21-19(13-18)12-15(2)38-21)25(33)27(34)31(23)29-30-16(3)26(39-29)28(35)36-4/h5-10,13-15,23,32H,1,11-12H2,2-4H3/b24-22+InChIKey
CPXFSYGLYXNZCB-ZNTNEXAZSA-NSynonyms
862245-44-1862245441
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OC)C)C5=CC(=CC=C5)OCC=C)O
InChI=1SC29H26N2O7Sc1511372086717(1420)2322(24(32)189102119(1318)1215(2)3821)25(33)27(34)31(23)293016(3)26(3929)28(35)364h51013152332H11112H224H3b2422+
methyl2((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)23DIOXO5(3PROP2ENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05727789
ZINC000101313691
ZINC000101313698
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.