Vitas-M small molecule compound
(4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL042248
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/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 C27H21FN2O4S MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O4S/c1-3-15-8-13-20-21(14-15)35-27(29-20)30-23(18-6-4-5-7-19(18)28)22(25(32)26(30)33)24(31)16-9-11-17(34-2)12-10-16/h4-14,23,31H,3H2,1-2H3/b24-22+InChIKey
ODSPLFRJUYQALV-ZNTNEXAZSA-NSynonyms
618421-39-9(4E)1(6ethyl13benzothiazol2yl)5(2fluorophenyl)4(hydroxy(4methoxyphenyl)methylidene)pyrrolidine23dione
1(6ETHYLBENZOTHIAZOL2YL)5(2FLUOROPHENYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
618421399
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC=CC=C5F
COc1ccc(cc1)C(=C1C(c2ccccc2F)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC27H21FN2O4Sc13158132021(1415)3527(2920)3023(18645719(18)28)22(25(32)26(30)33)24(31)1691117(342)121016h4142331H3H212H3b2422+
MFCD05738379
ZINC000102870069
ZINC000102870072
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