Vitas-M small molecule compound

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

Catalog ID
STL148129
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C

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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/c1-14-12-15(2)22-20(13-14)37-28(30-22)31-23(16-4-6-18(7-5-16)27(35)36-3)21(25(33)26(31)34)24(32)17-8-10-19(29)11-9-17/h4-13,23,32H,1-3H3/b24-21+
InChIKey
RFGJZHCSHYWYPD-DARPEHSRSA-N
Synonyms
5708-79-2
5708792
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC)C
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(cc2)F)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC28H21FN2O5Sc1141215(2)2220(1314)3728(3022)3123(164618(7516)27(35)363)21(25(33)26(31)34)24(32)1781019(29)11917h4132332H13H3b2421+
methyl4((3E)1(46dimethyl13benzothiazol2yl)3((4fluorophenyl)(hydroxy)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)1(46DIMETHYL13BENZOTHIAZOL2YL)3((4FLUOROPHENYL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(1(46DIMETHYLBENZOTHIAZOL2YL)3((4FLUOROPHENYL)CARBONYL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD03816618
ZINC000102926139
ZINC000102926141

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Available files

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