Vitas-M small molecule compound
methyl (5Z)-5-{4-[2-(cyclohexylamino)-2-oxoethoxy]benzylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160839
SMILES COC(=O)C1=C(C)N/C(=C\c2ccc(cc2)OCC(=O)NC2CCCCC2)/C1=O
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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 C22H26N2O5 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5/c1-14-20(22(27)28-2)21(26)18(23-14)12-15-8-10-17(11-9-15)29-13-19(25)24-16-6-4-3-5-7-16/h8-12,16,23H,3-7,13H2,1-2H3,(H,24,25)/b18-12-InChIKey
ROTFTAKQGPUWFD-PDGQHHTCSA-NSynonyms
CC1=C(C(=O)C(=CC2=CC=C(C=C2)OCC(=O)NC3CCCCC3)N1)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2ccc(cc2)OCC(=O)NC2CCCCC2)C1=O
InChI=1SC22H26N2O5c11420(22(27)282)21(26)18(2314)121581017(11915)291319(25)24166435716h8121623H3713H212H3(H2425)b1812
METHYL(5Z)5((4(2(CYCLOHEXYLAMINO)2OXOETHOXY)PHENYL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
METHYL(5Z)5(4(2(CYCLOHEXYLAMINO)2OXOETHOXY)BENZYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01987269
ZINC000019859088
ZINC19859088
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