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-ethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK579542
SMILES CCOc1cccc(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 C27H24N2O7S MW 520.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O7S/c1-4-34-18-7-5-6-16(12-18)22-21(23(31)17-8-9-19-20(13-17)36-11-10-35-19)24(32)26(33)29(22)27-28-14(2)25(37-27)15(3)30/h5-9,12-13,22,31H,4,10-11H2,1-3H3/b23-21+InChIKey
CVUHZEPAHRSCJU-XTQSDGFTSA-NSynonyms
577761-57-0(4E)1(5acetyl4methyl13thiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxyphenyl)pyrrolidine23dione
577761570
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC27H24N2O7Sc14341875616(1218)2221(23(31)17891920(1317)3611103519)24(32)26(33)29(22)272814(2)25(3727)15(3)30h5912132231H41011H213H3b2321+
MFCD07206678
ZINC000102586764
ZINC000102586770
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