Vitas-M small molecule compound
(4E)-5-(2,3-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK565969
SMILES COc1c(OC)cccc1C1N(c2nc3c(s2)cc(cc3)F)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC)/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 C27H21FN2O6S MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O6S/c1-34-16-10-7-14(8-11-16)23(31)21-22(17-5-4-6-19(35-2)25(17)36-3)30(26(33)24(21)32)27-29-18-12-9-15(28)13-20(18)37-27/h4-13,22,31H,1-3H3/b23-21+InChIKey
HQZUPFCNRJSYNK-XTQSDGFTSA-NSynonyms
514191-01-6(4E)5(23dimethoxyphenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)pyrrolidine23dione
5(23DIMETHOXYPHENYL)1(6FLUOROBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
514191016
COC1=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
COc1c(OC)cccc1C1N(c2nc3c(s2)cc(cc3)F)C(=O)C(=O)C1=C(c1ccc(cc1)OC)O
InChI=1SC27H21FN2O6Sc1341610714(81116)23(31)2122(1754619(352)25(17)363)30(26(33)24(21)32)27291812915(28)1320(18)3727h4132231H13H3b2321+
MFCD03794280
ZINC000102538604
ZINC000102538611
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