Vitas-M small molecule compound
methyl 4-{(3E)-1-[3-(dimethylamino)propyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK634034
SMILES COC(=O)c1ccc(cc1)C1N(CCCN(C)C)C(=O)C(=O)/C/1=C(\c1c(C)n[nH]c1C)/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 C23H28N4O5 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O5/c1-13-17(14(2)25-24-13)20(28)18-19(15-7-9-16(10-8-15)23(31)32-5)27(22(30)21(18)29)12-6-11-26(3)4/h7-10,19,28H,6,11-12H2,1-5H3,(H,24,25)/b20-18+InChIKey
ZULSJJIJRIHOCA-CZIZESTLSA-NSynonyms
1192220-23-71192220237
CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(=O)OC)O
COC(=O)c1ccc(cc1)C1N(CCCN(C)C)C(=O)C(=O)C1=C(c1c(C)n(nH)c1C)O
InChI=1SC23H28N4O5c11317(14(2)252413)20(28)1819(157916(10815)23(31)325)27(22(30)21(18)29)1261126(3)4h7101928H61112H215H3(H2425)b2018+
methyl4((3E)1(3(dimethylamino)propyl)3((35dimethyl1Hpyrazol4yl)(hydroxy)methylidene)45dioxopyrrolidin2yl)benzoate
methyl4((3E)1(3(dimethylamino)propyl)3((35dimethyl1Hpyrazol4yl)hydroxymethylidene)45dioxopyrrolidin2yl)benzoate
MFCD18160278
ZINC000102737869
ZINC000102737871
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Check stock on Vitas-MAvailable files
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