Vitas-M small molecule compound
4-{(Z)-[4-(methoxycarbonyl)-1,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK168455
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)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 C16H15NO5 MW 301.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO5/c1-9-13(16(21)22-3)12(14(18)17(9)2)8-10-4-6-11(7-5-10)15(19)20/h4-8H,1-3H3,(H,19,20)/b12-8-InChIKey
BAIMRTHCUUFMIM-WQLSENKSSA-NSynonyms
371202-89-0(Z)4((4(methoxycarbonyl)15dimethyl2oxo1Hpyrrol3(2H)ylidene)methyl)benzoicacid
371202890
4((Z)(4(METHOXYCARBONYL)15DIMETHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4METHOXYCARBONYL15DIMETHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)C
InChI=1SC16H15NO5c1913(16(21)223)12(14(18)17(9)2)8104611(7510)15(19)20h48H13H3(H1920)b128
MFCD03009453
ZINC000000108132
ZINC108132
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