Vitas-M small molecule compound
4-{(Z)-[4-(methoxycarbonyl)-5-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK160256
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)CC(C)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 C19H21NO5 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO5/c1-11(2)10-20-12(3)16(19(24)25-4)15(17(20)21)9-13-5-7-14(8-6-13)18(22)23/h5-9,11H,10H2,1-4H3,(H,22,23)/b15-9-InChIKey
BVJMLDKUCLEGQT-DHDCSXOGSA-NSynonyms
4((Z)(4(METHOXYCARBONYL)5METHYL1(2METHYLPROPYL)2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4METHOXYCARBONYL5METHYL1(2METHYLPROPYL)2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1CC(C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)CC(C)C
InChI=1SC19H21NO5c111(2)102012(3)16(19(24)254)15(17(20)21)9135714(8613)18(22)23h5911H10H214H3(H2223)b159
MFCD03820557
ZINC000000108124
ZINC108124
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