Vitas-M small molecule compound

methyl 4-{(3E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate

Catalog ID
STK603713
SMILES CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)F)/O)/C1c1ccc(cc1)C(=O)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 C28H21FN2O5S MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN2O5S/c1-3-15-4-13-20-21(14-15)37-28(30-20)31-23(16-5-7-18(8-6-16)27(35)36-2)22(25(33)26(31)34)24(32)17-9-11-19(29)12-10-17/h4-14,23,32H,3H2,1-2H3/b24-22+
InChIKey
KULKPSJHOUBNRM-ZNTNEXAZSA-N
Synonyms
618421-03-7
618421037
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC
CCc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc(cc2)F)O)C1c1ccc(cc1)C(=O)OC
InChI=1SC28H21FN2O5Sc13154132021(1415)3728(3020)3123(165718(8616)27(35)362)22(25(33)26(31)34)24(32)1791119(29)121017h4142332H3H212H3b2422+
methyl4((3E)1(6ethyl13benzothiazol2yl)3((4fluorophenyl)(hydroxy)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)1(6ETHYL13BENZOTHIAZOL2YL)3((4FLUOROPHENYL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(1(6ETHYLBENZOTHIAZOL2YL)3((4FLUOROPHENYL)CARBONYL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD08733596
ZINC000102696150
ZINC000102696155

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Available files

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