Vitas-M small molecule compound
(4E)-5-(2-fluorophenyl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL042149
SMILES COc1ccc(cc1C)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)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 C27H21FN2O4S MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O4S/c1-14-8-10-19-21(12-14)35-27(29-19)30-23(17-6-4-5-7-18(17)28)22(25(32)26(30)33)24(31)16-9-11-20(34-3)15(2)13-16/h4-13,23,31H,1-3H3/b24-22+InChIKey
HEERTFCUCUHPSX-ZNTNEXAZSA-NSynonyms
618416-79-8(4E)5(2fluorophenyl)4(hydroxy(4methoxy3methylphenyl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
5(2FLUOROPHENYL)3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)1(6METHYLBENZOTHIAZOL2YL)3PYRROLIN2ONE
618416798
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC(=C(C=C4)OC)C)O)C(=O)C3=O)C5=CC=CC=C5F
COc1ccc(cc1C)C(=C1C(c2ccccc2F)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC27H21FN2O4Sc1148101921(1214)3527(2919)3023(17645718(17)28)22(25(32)26(30)33)24(31)1691120(343)15(2)1316h4132331H13H3b2422+
MFCD05731046
ZINC000102868967
ZINC000102868969
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