Vitas-M small molecule compound

(4E)-5-(3,4-dimethoxyphenyl)-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
STL042366
SMILES COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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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 C29H23FN2O6S MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O6S/c1-14-10-17-11-16(5-8-20(17)38-14)26(33)24-25(15-4-9-21(36-2)22(12-15)37-3)32(28(35)27(24)34)29-31-19-7-6-18(30)13-23(19)39-29/h4-9,11-14,25,33H,10H2,1-3H3/b26-24+
InChIKey
FALOVJUBMUJRHH-SHHOIMCASA-N
Synonyms
849922-23-2
(4E)5(34dimethoxyphenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
849922232
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)OC)OC)O
COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)F)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC29H23FN2O6Sc11410171116(5820(17)3814)26(33)2425(154921(362)22(1215)373)32(28(35)27(24)34)2931197618(30)1323(19)3929h4911142533H10H213H3b2624+
MFCD05729239
ZINC000102869909
ZINC000102869918

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Available files

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