Vitas-M small molecule compound
(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK565281
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc[nH+]c1)/[O-])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 C32H36N2O4 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O4/c1-20(2)19-38-26-14-11-24(16-21(26)3)29(35)27-28(23-9-12-25(13-10-23)32(4,5)6)34(31(37)30(27)36)18-22-8-7-15-33-17-22/h7-17,20,28,35H,18-19H2,1-6H3/b29-27+InChIKey
WAVOYFWUIVBBGV-ORIPQNMZSA-NSynonyms
488734-48-1(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(4tertbutylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
488734481
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc(nH+)c1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)(C)C)O)OCC(C)C
InChI=1SC32H36N2O4c120(2)193826141124(1621(26)3)29(35)2728(2391225(131023)32(45)6)34(31(37)30(27)36)18228715331722h717202835H1819H216H3b2927+
MFCD18244736
ZINC000102175244
ZINC000102175247
Check stock
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Check stock on Vitas-MAvailable files
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