Vitas-M small molecule compound
(4E)-1-[3-(dimethylamino)propyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)(hydroxy)methylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
Catalog ID
STK645573
SMILES CN(CCCN1C(=O)C(=O)/C(=C(\c2c(C)n[nH]c2C)/O)/C1c1ccc(cc1)F)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 C21H25FN4O3 MW 400.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN4O3/c1-12-16(13(2)24-23-12)19(27)17-18(14-6-8-15(22)9-7-14)26(21(29)20(17)28)11-5-10-25(3)4/h6-9,18,27H,5,10-11H2,1-4H3,(H,23,24)/b19-17+InChIKey
HGEJPRKFCHZODR-HTXNQAPBSA-NSynonyms
1240290-69-0(4E)1(3(dimethylamino)propyl)4((35dimethyl1Hpyrazol4yl)(hydroxy)methylidene)5(4fluorophenyl)pyrrolidine23dione
(4E)1(3(dimethylamino)propyl)4((35dimethyl1Hpyrazol4yl)hydroxymethylidene)5(4fluorophenyl)pyrrolidine23dione
1240290690
CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)F)O
CN(CCCN1C(=O)C(=O)C(=C(c2c(C)n(nH)c2C)O)C1c1ccc(cc1)F)C
InChI=1SC21H25FN4O3c11216(13(2)242312)19(27)1718(146815(22)9714)26(21(29)20(17)28)1151025(3)4h691827H51011H214H3(H2324)b1917+
MFCD18163962
ZINC000102752338
ZINC000102752340
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