Vitas-M small molecule compound

4-{(Z)-[1-(2-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid

Catalog ID
STK168504
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1ccccc1F

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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 C21H16FNO5 MW 381.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FNO5/c1-12-18(21(27)28-2)15(11-13-7-9-14(10-8-13)20(25)26)19(24)23(12)17-6-4-3-5-16(17)22/h3-11H,1-2H3,(H,25,26)/b15-11-
InChIKey
WXAWKEYJOVYWIO-PTNGSMBKSA-N
Synonyms
371141-43-4
(Z)4((1(2fluorophenyl)4(methoxycarbonyl)5methyl2oxo1Hpyrrol3(2H)ylidene)methyl)benzoicacid
371141434
4((1(2FLUOROPHENYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((1(2FLUOROPHENYL)4(METHOXYCARBONYL)5METHYL2OXOAZOLIN3YLIDENE)METHYL)BENZOICACID
4((Z)(1(2FLUOROPHENYL)4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1(2FLUOROPHENYL)4METHOXYCARBONYL5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC=CC=C3F)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1ccccc1F
InChI=1SC21H16FNO5c11218(21(27)282)15(11137914(10813)20(25)26)19(24)23(12)17643516(17)22h311H12H3(H2526)b1511
MFCD02629787
ZINC000002076996
ZINC2076996

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Available files

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