Vitas-M small molecule compound
ethyl 2-{(3E)-2-(3-chlorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL041103
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)Cl
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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 C26H21ClN2O7S MW 540.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O7S/c1-3-34-25(33)23-13(2)28-26(37-23)29-20(14-5-4-6-16(27)11-14)19(22(31)24(29)32)21(30)15-7-8-17-18(12-15)36-10-9-35-17/h4-8,11-12,20,30H,3,9-10H2,1-2H3/b21-19+InChIKey
HIZVPRMCCAUUGQ-XUTLUUPISA-NSynonyms
579446-20-1579446201
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)Cl)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)Cl
ethyl2((3E)2(3chlorophenyl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC26H21ClN2O7Sc133425(33)2313(2)2826(3723)2920(1454616(27)1114)19(22(31)24(29)32)21(30)15781718(1215)361093517h4811122030H3910H212H3b2119+
MFCD05724666
ZINC000102866920
ZINC000102866925
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