Vitas-M small molecule compound
4-{(E)-[4-(methoxycarbonyl)-5-methyl-3-oxo-1,3-dihydro-2H-pyrrol-2-ylidene]methyl}benzoic acid
Catalog ID
STL296468
SMILES COC(=O)C1=C(C)N/C(=C/c2ccc(cc2)C(=O)O)/C1=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 C15H13NO5 MW 287.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13NO5/c1-8-12(15(20)21-2)13(17)11(16-8)7-9-3-5-10(6-4-9)14(18)19/h3-7,16H,1-2H3,(H,18,19)/b11-7+InChIKey
MYBVEVQRRAVRHG-YRNVUSSQSA-NSynonyms
354790-87-7(E)4((4(methoxycarbonyl)5methyl3oxo1Hpyrrol2(3H)ylidene)methyl)benzoicacid
354790877
4((4(METHOXYCARBONYL)5METHYL3OXOAZOLIN2YLIDENE)METHYL)BENZOICACID
4((E)(4(methoxycarbonyl)5methyl3oxo13dihydro2Hpyrrol2ylidene)methyl)benzoicacid
4((E)(4METHOXYCARBONYL5METHYL3OXO1HPYRROL2YLIDENE)METHYL)BENZOICACID
5(4CARBOXYBENZYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLICACIDMETHYLESTER
CC1=C(C(=O)C(=CC2=CC=C(C=C2)C(=O)O)N1)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2ccc(cc2)C(=O)O)C1=O
InChI=1SC15H13NO5c1812(15(20)212)13(17)11(168)793510(649)14(18)19h3716H12H3(H1819)b117+
MFCD01987808
ZINC000019735286
ZINC19735286
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