Vitas-M small molecule compound
methyl 4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate
Catalog ID
STK567601
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nccs1
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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 C25H20N2O6S MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6S/c1-13-11-17-12-16(7-8-18(17)33-13)21(28)19-20(14-3-5-15(6-4-14)24(31)32-2)27(23(30)22(19)29)25-26-9-10-34-25/h3-10,12-13,20,28H,11H2,1-2H3/b21-19+InChIKey
KABATJIYPXRSGK-XUTLUUPISA-NSynonyms
893699-04-2893699042
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC=CS4)C5=CC=C(C=C5)C(=O)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nccs1
InChI=1SC25H20N2O6Sc11311171216(7818(17)3313)21(28)1920(143515(6414)24(31)322)27(23(30)22(19)29)25269103425h31012132028H11H212H3b2119+
methyl4((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxo1(13thiazol2yl)pyrrolidin2yl)benzoate
MFCD07206670
ZINC000102548349
ZINC000102651682
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