Vitas-M small molecule compound
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL041989
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)/O
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H18F2N2O4S MW 504.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18F2N2O4S/c1-13-10-15-11-14(6-9-20(15)35-13)24(32)22-23(17-4-2-3-5-18(17)29)31(26(34)25(22)33)27-30-19-8-7-16(28)12-21(19)36-27/h2-9,11-13,23,32H,10H2,1H3/b24-22+InChIKey
AQEXSDXEEVLINK-ZNTNEXAZSA-NSynonyms
877789-16-7(4E)1(6fluoro13benzothiazol2yl)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
877789167
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)F)C6=CC=CC=C6F)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2ccccc2F)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)O
InChI=1SC27H18F2N2O4Sc11310151114(6920(15)3513)24(32)2223(17423518(17)29)31(26(34)25(22)33)2730198716(28)1221(19)3627h2911132332H10H21H3b2422+
MFCD05728229
ZINC000102735609
ZINC000102735615
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