Vitas-M small molecule compound
(E)-[2-(3-chlorophenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL050832
SMILES Clc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C31H25ClN2O4 MW 525.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN2O4/c1-20-4-2-5-22(16-20)19-38-26-10-8-23(9-11-26)29(35)27-28(24-6-3-7-25(32)17-24)34(31(37)30(27)36)18-21-12-14-33-15-13-21/h2-17,28,35H,18-19H2,1H3/b29-27+InChIKey
LNSVVXHWZIPLSQ-ORIPQNMZSA-NSynonyms
836626-27-8(4E)5(3CHLOROPHENYL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3CHLOROPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(2(3chlorophenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
836626278
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC(=CC=C5)Cl)(O)
Clc1cccc(c1)C1C(=C(c2ccc(cc2)OCc2cccc(c2)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC31H25ClN2O4c12042522(1620)19382610823(91126)29(35)2728(2463725(32)1724)34(31(37)30(27)36)1821121433151321h2172835H1819H21H3b2927+
MFCD18249352
ZINC000102887540
ZINC000102887545
Check stock
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