Vitas-M small molecule compound
(4E)-5-(2,5-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK631842
SMILES COc1ccc(c(c1)C1N(CCCN(C)C)C(=O)C(=O)/C/1=C(\c1c(C)n[nH]c1C)/O)OC
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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 C23H30N4O5 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O5/c1-13-18(14(2)25-24-13)21(28)19-20(16-12-15(31-5)8-9-17(16)32-6)27(23(30)22(19)29)11-7-10-26(3)4/h8-9,12,20,28H,7,10-11H2,1-6H3,(H,24,25)/b21-19+InChIKey
YTJKWDBXXUPMNZ-XUTLUUPISA-NSynonyms
1187336-12-4(4E)5(25dimethoxyphenyl)1(3(dimethylamino)propyl)4((35dimethyl1Hpyrazol4yl)(hydroxy)methylidene)pyrrolidine23dione
(4E)5(25dimethoxyphenyl)1(3(dimethylamino)propyl)4((35dimethyl1Hpyrazol4yl)hydroxymethylidene)pyrrolidine23dione
1187336124
CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=C(C=CC(=C3)OC)OC)O
COc1ccc(c(c1)C1N(CCCN(C)C)C(=O)C(=O)C1=C(c1c(C)n(nH)c1C)O)OC
InChI=1SC23H30N4O5c11318(14(2)252413)21(28)1920(161215(315)8917(16)326)27(23(30)22(19)29)1171026(3)4h89122028H71011H216H3(H2425)b2119+
MFCD18159592
ZINC000102735860
ZINC000102735863
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