Vitas-M small molecule compound
ethyl (4Z)-1-cyclohexyl-4-(2,4-dichlorobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168590
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1Cl)Cl)C1CCCCC1
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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 C21H23Cl2NO3 MW 408.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Cl2NO3/c1-3-27-21(26)19-13(2)24(16-7-5-4-6-8-16)20(25)17(19)11-14-9-10-15(22)12-18(14)23/h9-12,16H,3-8H2,1-2H3/b17-11-InChIKey
LODLXTYOMVDPFL-BOPFTXTBSA-NSynonyms
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1Cl)Cl)C1CCCCC1
CCOC(=O)C1=C(N(C(=O)C1=CC2=C(C=C(C=C2)Cl)Cl)C3CCCCC3)C
ETHYL(4Z)1CYCLOHEXYL4((24DICHLOROPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)1CYCLOHEXYL4(24DICHLOROBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC21H23Cl2NO3c132721(26)1913(2)24(167546816)20(25)17(19)111491015(22)1218(14)23h91216H38H212H3b1711
MFCD00684439
ZINC000012413437
ZINC12413437
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