Vitas-M small molecule compound
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK572388
SMILES COc1cccc(c1)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 C28H21FN2O5S MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN2O5S/c1-14-10-17-11-16(6-9-21(17)36-14)25(32)23-24(15-4-3-5-19(12-15)35-2)31(27(34)26(23)33)28-30-20-8-7-18(29)13-22(20)37-28/h3-9,11-14,24,32H,10H2,1-2H3/b25-23+InChIKey
GYPXYUOVEMRLPW-WJTDDFOZSA-NSynonyms
896598-56-4(4E)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3methoxyphenyl)pyrrolidine23dione
896598564
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=C6)OC)O
COc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)F)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC28H21FN2O5Sc11410171116(6921(17)3614)25(32)2324(1543519(1215)352)31(27(34)26(23)33)2830208718(29)1322(20)3728h3911142432H10H212H3b2523+
MFCD07211432
ZINC000102568917
ZINC000102657821
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