Vitas-M small molecule compound
2-[4-(ethoxycarbonyl)-5-methyl-1H-pyrrol-3-yl]-4-(naphthalen-2-yl)-4-oxobutanoic acid
Catalog ID
STL321866
SMILES CCOC(=O)c1c(C)[nH]cc1C(C(=O)O)CC(=O)c1ccc2c(c1)cccc2
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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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c1-3-28-22(27)20-13(2)23-12-18(20)17(21(25)26)11-19(24)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,17,23H,3,11H2,1-2H3,(H,25,26)InChIKey
CRGXMOHZNXQVTP-UHFFFAOYSA-NSynonyms
2(4(ethoxycarbonyl)5methyl1Hpyrrol3yl)4(naphthalen2yl)4oxobutanoicacid
2(4ethoxycarbonyl5methyl1Hpyrrol3yl)4naphthalen2yl4oxobutanoicacid
CCOC(=O)C1=C(NC=C1C(CC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O)C
CCOC(=O)c1c(C)(nH)cc1C(C(=O)O)CC(=O)c1ccc2c(c1)cccc2
InChI=1SC22H21NO5c132822(27)2013(2)231218(20)17(21(25)26)1119(24)169814645715(14)1016h410121723H311H212H3(H2526)
MFCD01552593
ZINC000005473553
ZINC000005473557
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