Vitas-M small molecule compound
methyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK567888
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\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 C28H26N2O8S MW 550.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O8S/c1-4-10-36-18-7-5-6-16(13-18)22-21(23(31)17-8-9-19-20(14-17)38-12-11-37-19)24(32)26(33)30(22)28-29-15(2)25(39-28)27(34)35-3/h5-9,13-14,22,31H,4,10-12H2,1-3H3/b23-21+InChIKey
RXLMOFZUZUHXML-XTQSDGFTSA-NSynonyms
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OC)C
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC28H26N2O8Sc1410361875616(1318)2221(23(31)17891920(1417)3812113719)24(32)26(33)30(22)282915(2)25(3928)27(34)353h5913142231H41012H213H3b2321+
methyl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxo2(3propoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)23DIOXO5(3PROPOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05726496
ZINC000102652366
ZINC000102652368
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.