Vitas-M small molecule compound
ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-{4-[2-oxo-2-(phenylamino)ethoxy]benzylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK165143
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)OCC(=O)Nc1ccccc1)CC(C)C
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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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-5-33-27(32)25-19(4)29(16-18(2)3)26(31)23(25)15-20-11-13-22(14-12-20)34-17-24(30)28-21-9-7-6-8-10-21/h6-15,18H,5,16-17H2,1-4H3,(H,28,30)/b23-15-InChIKey
YRHCGPPVGDJXAT-HAHDFKILSA-NSynonyms
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)OCC(=O)Nc1ccccc1)CC(C)C
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3)CC(C)C)C
ETHYL(4Z)2METHYL1(2METHYLPROPYL)5OXO4(4(2OXO2(PHENYLAMINO)ETHOXY)BENZYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(4Z)4((4(2ANILINO2OXOETHOXY)PHENYL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
ETHYL4(4(2ANILINO2OXOETHOXY)BENZYLIDENE)1ISOBUTYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC27H30N2O5c153327(32)2519(4)29(1618(2)3)26(31)23(25)1520111322(141220)341724(30)282197681021h61518H51617H214H3(H2830)b2315
MFCD02945754
ZINC000013470928
ZINC13470928
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