Vitas-M small molecule compound
(4E)-5-(2,5-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL039161
SMILES COc1ccc(c(c1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F)OC
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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 C27H21FN2O5S MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O5S/c1-14-4-6-15(7-5-14)24(31)22-23(18-13-17(34-2)9-11-20(18)35-3)30(26(33)25(22)32)27-29-19-10-8-16(28)12-21(19)36-27/h4-13,23,31H,1-3H3/b24-22+InChIKey
GDUBNPKPKLYTRS-ZNTNEXAZSA-NSynonyms
514190-19-3(4E)5(25dimethoxyphenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(4methylphenyl)methylidene)pyrrolidine23dione
5(25DIMETHOXYPHENYL)1(6FLUOROBENZOTHIAZOL2YL)3HYDROXY4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
514190193
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=C(C=CC(=C5)OC)OC)O
COc1ccc(c(c1)C1C(=C(c2ccc(cc2)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F)OC
InChI=1SC27H21FN2O5Sc1144615(7514)24(31)2223(181317(342)91120(18)353)30(26(33)25(22)32)27291910816(28)1221(19)3627h4132331H13H3b2422+
MFCD03808555
ZINC000102863191
ZINC000102863196
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