Vitas-M small molecule compound
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK588527
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)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 C24H19N3O7S MW 493.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O7S/c1-12-25-26-24(35-12)27-19(13-3-5-14(6-4-13)23(31)32-2)18(21(29)22(27)30)20(28)15-7-8-16-17(11-15)34-10-9-33-16/h3-8,11,19,28H,9-10H2,1-2H3/b20-18+InChIKey
BDYHSYJPPJXOJA-CZIZESTLSA-NSynonyms
578752-71-3578752713
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC24H19N3O7Sc112252624(3512)2719(133514(6413)23(31)322)18(21(29)22(27)30)20(28)15781617(1115)341093316h38111928H910H212H3b2018+
methyl4((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)45dioxopyrrolidin2yl)benzoate
MFCD07205096
ZINC000102603592
ZINC000102603596
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