Vitas-M small molecule compound
4-{(Z)-[4-(methoxycarbonyl)-1-(3-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK160830
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)c1cccc(c1)OC
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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 C22H19NO6 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO6/c1-13-19(22(27)29-3)18(11-14-7-9-15(10-8-14)21(25)26)20(24)23(13)16-5-4-6-17(12-16)28-2/h4-12H,1-3H3,(H,25,26)/b18-11-InChIKey
MEBUFLSHFFZKSW-WQRHYEAKSA-NSynonyms
4((Z)(4(METHOXYCARBONYL)1(3METHOXYPHENYL)5METHYL2OXO12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4METHOXYCARBONYL1(3METHOXYPHENYL)5METHYL2OXOPYRROL3YLIDENE)METHYL)BENZOICACID
CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC(=CC=C3)OC)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1cccc(c1)OC
InChI=1SC22H19NO6c11319(22(27)293)18(11147915(10814)21(25)26)20(24)23(13)1654617(1216)282h412H13H3(H2526)b1811
MFCD03710944
ZINC000003463333
ZINC3463333
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