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-ethoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK575129
SMILES CCCOc1ccc(cc1OCC)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 C30H30N2O8S MW 578.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O8S/c1-5-11-38-20-9-7-18(14-22(20)37-6-2)25-24(26(34)19-8-10-21-23(15-19)40-13-12-39-21)27(35)29(36)32(25)30-31-16(3)28(41-30)17(4)33/h7-10,14-15,25,34H,5-6,11-13H2,1-4H3/b26-24+InChIKey
AKIIVLULWONQOS-SHHOIMCASA-NSynonyms
(4E)1(5acetyl4methyl13thiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4propoxyphenyl)pyrrolidine23dione
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC30H30N2O8Sc151138209718(1422(20)3762)2524(26(34)198102123(1519)4013123921)27(35)29(36)32(25)303116(3)28(4130)17(4)33h71014152534H561113H214H3b2624+
MFCD07207005
ZINC000102576324
ZINC000102576332
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