Vitas-M small molecule compound
(4E)-5-(4-chlorophenyl)-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
STL055198
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1nc2c(s1)cc(cc2)F)/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 C27H18ClFN2O4S MW 520.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClFN2O4S/c1-13-10-16-11-15(4-9-20(16)35-13)24(32)22-23(14-2-5-17(28)6-3-14)31(26(34)25(22)33)27-30-19-8-7-18(29)12-21(19)36-27/h2-9,11-13,23,32H,10H2,1H3/b24-22+InChIKey
PVQYELIFUBRXEV-ZNTNEXAZSA-NSynonyms
850800-48-5(4E)5(4chlorophenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
850800485
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)Cl)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1nc2c(s1)cc(cc2)F)O
InChI=1SC27H18ClFN2O4Sc11310161115(4920(16)3513)24(32)2223(142517(28)6314)31(26(34)25(22)33)2730198718(29)1221(19)3627h2911132332H10H21H3b2422+
MFCD05735951
ZINC000102771065
ZINC000102771070
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