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-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK595582
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C30H30N2O7S MW 562.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O7S/c1-16(2)10-11-37-21-7-5-6-19(14-21)25-24(26(34)20-8-9-22-23(15-20)39-13-12-38-22)27(35)29(36)32(25)30-31-17(3)28(40-30)18(4)33/h5-9,14-16,25,34H,10-13H2,1-4H3/b26-24+InChIKey
RZOFFHVNBCATOK-SHHOIMCASA-NSynonyms
(4E)1(5acetyl4methyl13thiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C)C
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)OCCC(C)C)C(=O)C
InChI=1SC30H30N2O7Sc116(2)1011372175619(1421)2524(26(34)20892223(1520)3913123822)27(35)29(36)32(25)303117(3)28(4030)18(4)33h5914162534H1013H214H3b2624+
MFCD07210266
ZINC000102076804
ZINC000102076812
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