Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STL148530
SMILES C[NH+](CCCN1C(c2cccc(c2)Br)/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 C26H27BrN4O3 MW 523.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN4O3/c1-17-21(16-28-31(17)20-11-5-4-6-12-20)24(32)22-23(18-9-7-10-19(27)15-18)30(26(34)25(22)33)14-8-13-29(2)3/h4-7,9-12,15-16,23,32H,8,13-14H2,1-3H3/b24-22+InChIKey
WSTAHUNZGGREGD-ZNTNEXAZSA-NSynonyms
955875-11-3(4E)5(3BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(3BROMOPHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
955875113
C(NH+)(CCCN1C(c2cccc(c2)Br)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(=CC=C4)Br)O
InChI=1SC26H27BrN4O3c11721(162831(17)20115461220)24(32)2223(18971019(27)1518)30(26(34)25(22)33)1481329(2)3h4791215162332H81314H213H3b2422+
MFCD20755412
ZINC000102928274
ZINC000102928275
Check stock
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Check stock on Vitas-MAvailable files
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