Vitas-M small molecule compound
4-{(Z)-[1-benzyl-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK080104
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)Cc1ccccc1
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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 C22H19NO5 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO5/c1-14-19(22(27)28-2)18(12-15-8-10-17(11-9-15)21(25)26)20(24)23(14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,26)/b18-12-InChIKey
VSFQSWMIMIFWPZ-PDGQHHTCSA-NSynonyms
(Z)4((1benzyl4(methoxycarbonyl)5methyl2oxo1Hpyrrol3(2H)ylidene)methyl)benzoicacid
4((Z)(1BENZYL4(METHOXYCARBONYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(1BENZYL4METHOXYCARBONYL5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1CC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)Cc1ccccc1
InChI=1SC22H19NO5c11419(22(27)282)18(121581017(11915)21(25)26)20(24)23(14)13166435716h312H13H212H3(H2526)b1812
MFCD01893939
STK080104
ZINC000002248613
ZINC2248613
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