Vitas-M small molecule compound
methyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STL038509
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
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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 C26H16ClFN2O5S MW 522.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16ClFN2O5S/c1-35-25(34)15-4-2-13(3-5-15)21-20(22(31)14-6-8-16(27)9-7-14)23(32)24(33)30(21)26-29-18-11-10-17(28)12-19(18)36-26/h2-12,21,31H,1H3/b22-20+InChIKey
ILLKLCBEFJWBTQ-LSDHQDQOSA-NSynonyms
514190-83-1514190831
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)F
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC26H16ClFN2O5Sc13525(34)154213(3515)2120(22(31)146816(27)9714)23(32)24(33)30(21)262918111017(28)1219(18)3626h2122131H1H3b2220+
methyl4((3E)3((4chlorophenyl)(hydroxy)methylidene)1(6fluoro13benzothiazol2yl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(6FLUORO13BENZOTHIAZOL2YL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3((4CHLOROPHENYL)CARBONYL)1(6FLUOROBENZOTHIAZOL2YL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD03801004
ZINC000102861546
ZINC000102861548
Check stock
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Check stock on Vitas-MAvailable files
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