Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate

Catalog ID
STL045969
SMILES C[NH+](CCCN1C(c2cccnc2)/C(=C(/c2cnn(c2C)c2ccccc2)\[O-])/C(=O)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 C25H27N5O3 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3/c1-17-20(16-27-30(17)19-10-5-4-6-11-19)23(31)21-22(18-9-7-12-26-15-18)29(25(33)24(21)32)14-8-13-28(2)3/h4-7,9-12,15-16,22,31H,8,13-14H2,1-3H3/b23-21+
InChIKey
XYSNMVDDCBZGBE-XTQSDGFTSA-N
Synonyms
1010862-40-4
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)5(3PYRIDYL)3PYRROLIN2ONE
1(3DIMETHYLAMINOPROPYL)3HYDROXY4(5METHYL1PHENYL1HPYRAZOLE4CARBONYL)5PYRIDIN3YL15DIHYDROPYRROL2ONE
1010862404
C(NH+)(CCCN1C(c2cccnc2)C(=C(c2cnn(c2C)c2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)(C)C)C4=CN=CC=C4)(O)
InChI=1SC25H27N5O3c11720(162730(17)19105461119)23(31)2122(189712261518)29(25(33)24(21)32)1481328(2)3h4791215162231H81314H213H3b2321+
MFCD18248752
ZINC000102879422
ZINC000102879424

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Available files

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