Vitas-M small molecule compound
ethyl 4-(3-chlorobenzyl)-5-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-2-methyl-1H-pyrrole-3-carboxylate
Catalog ID
STL023299
SMILES CCOC(=O)c1c(C)[nH]c(c1Cc1cccc(c1)Cl)/C=C\C(=O)c1ccc(cc1)F
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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 C24H21ClFNO3 MW 425.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClFNO3/c1-3-30-24(29)23-15(2)27-21(20(23)14-16-5-4-6-18(25)13-16)11-12-22(28)17-7-9-19(26)10-8-17/h4-13,27H,3,14H2,1-2H3/b12-11-InChIKey
KXLRDVMCMVELGY-QXMHVHEDSA-NSynonyms
CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C=CC(=O)C3=CC=C(C=C3)F)C
CCOC(=O)c1c(C)(nH)c(c1Cc1cccc(c1)Cl)C=CC(=O)c1ccc(cc1)F
ethyl4((3chlorophenyl)methyl)5((Z)3(4fluorophenyl)3oxoprop1enyl)2methyl1Hpyrrole3carboxylate
ethyl4(3chlorobenzyl)5((1Z)3(4fluorophenyl)3oxoprop1en1yl)2methyl1Hpyrrole3carboxylate
InChI=1SC24H21ClFNO3c133024(29)2315(2)2721(20(23)141654618(25)1316)111222(28)177919(26)10817h41327H314H212H3b1211
MFCD18187210
ZINC000026786610
ZINC26786610
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