Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl][2-(3,4-dichlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK560606
SMILES Cc1cc(ccc1OCc1ccccc1)/C(=C\1/C(c2ccc(c(c2)Cl)Cl)N(C(=O)C1=O)Cc1ccc[nH+]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 C31H24Cl2N2O4 MW 559.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24Cl2N2O4/c1-19-14-23(10-12-26(19)39-18-20-6-3-2-4-7-20)29(36)27-28(22-9-11-24(32)25(33)15-22)35(31(38)30(27)37)17-21-8-5-13-34-16-21/h2-16,28,36H,17-18H2,1H3/b29-27+InChIKey
HYCSVBSJEXTWSY-ORIPQNMZSA-NSynonyms
(4E)5(34DICHLOROPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DICHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(34dichlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)Cl)Cl)(O))OCC5=CC=CC=C5
Cc1cc(ccc1OCc1ccccc1)C(=C1C(c2ccc(c(c2)Cl)Cl)N(C(=O)C1=O)Cc1ccc(nH+)c1)(O)
InChI=1SC31H24Cl2N2O4c1191423(101226(19)3918206324720)29(36)2728(2291124(32)25(33)1522)35(31(38)30(27)37)17218513341621h2162836H1718H21H3b2927+
MFCD18243580
ZINC000102497357
ZINC000102497366
Check stock
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Check stock on Vitas-MAvailable files
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