Vitas-M small molecule compound

(E)-[4-(benzyloxy)-3-methylphenyl][4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STL148894
SMILES Cc1cc(ccc1OCc1ccccc1)/C(=C\1/C(c2ccccc2)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 C31H26N2O4 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O4/c1-21-17-25(14-15-26(21)37-20-22-9-4-2-5-10-22)29(34)27-28(24-12-6-3-7-13-24)33(31(36)30(27)35)19-23-11-8-16-32-18-23/h2-18,28,34H,19-20H2,1H3/b29-27+
InChIKey
BELHBODEPXXODN-ORIPQNMZSA-N
Synonyms

(4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4(benzyloxy)3methylphenyl)(45dioxo2phenyl1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(45DIOXO2PHENYL1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=CC=C4)(O))OCC5=CC=CC=C5
Cc1cc(ccc1OCc1ccccc1)C(=C1C(c2ccccc2)N(C(=O)C1=O)Cc1ccc(nH+)c1)(O)
InChI=1SC31H26N2O4c1211725(141526(21)37202294251022)29(34)2728(24126371324)33(31(36)30(27)35)192311816321823h2182834H1920H21H3b2927+
MFCD20755494
ZINC000102931932
ZINC000102931936

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Available files

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