Vitas-M small molecule compound
ethyl (4Z)-4-(4-chlorobenzylidene)-1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168589
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)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 C21H24ClNO3 MW 373.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClNO3/c1-3-26-21(25)19-14(2)23(17-7-5-4-6-8-17)20(24)18(19)13-15-9-11-16(22)12-10-15/h9-13,17H,3-8H2,1-2H3/b18-13-InChIKey
JCMSKRBHTHKCIC-AQTBWJFISA-NSynonyms
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)Cl)C1CCCCC1
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)Cl)C3CCCCC3)C
ETHYL(4Z)4((4CHLOROPHENYL)METHYLIDENE)1CYCLOHEXYL2METHYL5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)4(4CHLOROBENZYLIDENE)1CYCLOHEXYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC21H24ClNO3c132621(25)1914(2)23(177546817)20(24)18(19)131591116(22)121015h91317H38H212H3b1813
MFCD08680050
ZINC000009846967
ZINC09846967
ZINC9846967
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