Vitas-M small molecule compound
methyl 4-{(3E)-1-[3-(dimethylamino)propyl]-3-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK634325
SMILES COC(=O)c1ccc(cc1)C1N(CCCN(C)C)C(=O)C(=O)/C/1=C(\c1c(C)nn(c1C)C)/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 C24H30N4O5 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O5/c1-14-18(15(2)27(5)25-14)21(29)19-20(16-8-10-17(11-9-16)24(32)33-6)28(23(31)22(19)30)13-7-12-26(3)4/h8-11,20,29H,7,12-13H2,1-6H3/b21-19+InChIKey
VIJJKWGNACLIEU-XUTLUUPISA-NSynonyms
1010865-55-01010865550
CC1=C(C(=NN1C)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)nn(c1C)C)O
InChI=1SC24H30N4O5c11418(15(2)27(5)2514)21(29)1920(1681017(11916)24(32)336)28(23(31)22(19)30)1371226(3)4h8112029H71213H216H3b2119+
methyl4((3E)1(3(dimethylamino)propyl)3(hydroxy(135trimethyl1Hpyrazol4yl)methylidene)45dioxopyrrolidin2yl)benzoate
methyl4((3E)1(3(dimethylamino)propyl)3(hydroxy(135trimethylpyrazol4yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD18160354
ZINC000102737765
ZINC000102737769
Check stock
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Check stock on Vitas-MAvailable files
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