Vitas-M small molecule compound

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

Catalog ID
STK560807
SMILES C[NH+](CCCN1C(c2ccc(c(c2)Cl)Cl)/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 C26H26Cl2N4O3 MW 513.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26Cl2N4O3/c1-16-19(15-29-32(16)18-8-5-4-6-9-18)24(33)22-23(17-10-11-20(27)21(28)14-17)31(26(35)25(22)34)13-7-12-30(2)3/h4-6,8-11,14-15,23,33H,7,12-13H2,1-3H3/b24-22+
InChIKey
WRPXCARELIFSRK-ZNTNEXAZSA-N
Synonyms
955875-24-8
(4E)5(34DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(34DICHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(34DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
955875248
C(NH+)(CCCN1C(c2ccc(c(c2)Cl)Cl)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)CCCN(C)C)C4=CC(=C(C=C4)Cl)Cl)O
InChI=1SC26H26Cl2N4O3c11619(152932(16)188546918)24(33)2223(17101120(27)21(28)1417)31(26(35)25(22)34)1371230(2)3h4681114152333H71213H213H3b2422+
MFCD18243639
ZINC000102499077
ZINC000102499087

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Available files

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