Vitas-M small molecule compound

(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione

Catalog ID
STK599265
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F

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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 C28H20BrFN2O6S MW 611.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrFN2O6S/c1-12-7-14-8-13(3-6-19(14)38-12)24(33)22-23(15-9-17(29)25(34)20(10-15)37-2)32(27(36)26(22)35)28-31-18-5-4-16(30)11-21(18)39-28/h3-6,8-12,23,33-34H,7H2,1-2H3/b24-22+
InChIKey
KADWAWDAJPMILK-ZNTNEXAZSA-N
Synonyms
897836-10-1
(4E)5(3bromo4hydroxy5methoxyphenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897836101
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)F)C6=CC(=C(C(=C6)Br)O)OC)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC28H20BrFN2O6Sc112714813(3619(14)3812)24(33)2223(15917(29)25(34)20(1015)372)32(27(36)26(22)35)2831185416(30)1121(18)3928h36812233334H7H212H3b2422+
MFCD07203877
ZINC000102626849
ZINC000102681683

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Available files

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