Vitas-M small molecule compound

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

Catalog ID
STK565550
SMILES CCc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[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 C33H30N2O4 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O4/c1-3-23-11-13-26(14-12-23)30-29(32(37)33(38)35(30)20-25-10-7-17-34-19-25)31(36)28-16-15-27(18-22(28)2)39-21-24-8-5-4-6-9-24/h4-19,30,36H,3,20-21H2,1-2H3/b31-29+
InChIKey
ALENWTZXHGELJI-OWWNRXNESA-N
Synonyms
488122-43-6
(4E)5(4ETHYLPHENYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4ethylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
488122436
CCC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CC5=CN=CC=C5
CCc1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)(O)
InChI=1SC33H30N2O4c1323111326(141223)3029(32(37)33(38)35(30)202510717341925)31(36)28161527(1822(28)2)3921248546924h4193036H32021H212H3b3129+
MFCD18244818
ZINC000102535769
ZINC000102535777

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Available files

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