Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK589783
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C28H26N2O7S MW 534.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O7S/c1-4-10-35-19-7-5-6-17(13-19)23-22(24(32)18-8-9-20-21(14-18)37-12-11-36-20)25(33)27(34)30(23)28-29-15(2)26(38-28)16(3)31/h5-9,13-14,23,32H,4,10-12H2,1-3H3/b24-22+InChIKey
IXEHZTBIMRWBOA-ZNTNEXAZSA-NSynonyms
577981-25-0(4E)1(5acetyl4methyl13thiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3propoxyphenyl)pyrrolidine23dione
577981250
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC28H26N2O7Sc1410351975617(1319)2322(24(32)18892021(1418)3712113620)25(33)27(34)30(23)282915(2)26(3828)16(3)31h5913142332H41012H213H3b2422+
MFCD07199181
ZINC000102605712
ZINC000102605720
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