Vitas-M small molecule compound
(4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluoro-4-methoxyphenyl)(hydroxy)methylidene]-5-(pyridin-4-yl)pyrrolidine-2,3-dione
Catalog ID
STK642322
SMILES COc1ccc(cc1F)/C(=C\1/C(c2ccncc2)N(C(=O)C1=O)c1sc(c(n1)C)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 C22H18FN3O4S MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O4S/c1-11-12(2)31-22(25-11)26-18(13-6-8-24-9-7-13)17(20(28)21(26)29)19(27)14-4-5-16(30-3)15(23)10-14/h4-10,18,27H,1-3H3/b19-17+InChIKey
PVNNISWCEVUTRB-HTXNQAPBSA-NSynonyms
951929-71-8(4E)1(45dimethyl13thiazol2yl)4((3fluoro4methoxyphenyl)(hydroxy)methylidene)5(pyridin4yl)pyrrolidine23dione
(4E)1(45dimethyl13thiazol2yl)4((3fluoro4methoxyphenyl)hydroxymethylidene)5pyridin4ylpyrrolidine23dione
951929718
CC1=C(SC(=N1)N2C(C(=C(C3=CC(=C(C=C3)OC)F)O)C(=O)C2=O)C4=CC=NC=C4)C
COc1ccc(cc1F)C(=C1C(c2ccncc2)N(C(=O)C1=O)c1sc(c(n1)C)C)O
InChI=1SC22H18FN3O4Sc11112(2)3122(2511)2618(1368249713)17(20(28)21(26)29)19(27)144516(303)15(23)1014h4101827H13H3b1917+
MFCD18162940
ZINC000102748829
ZINC000102748831
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