Vitas-M small molecule compound
(4E)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)(hydroxy)methylidene]-5-(3-fluorophenyl)-1-[2-(morpholin-4-yl)ethyl]pyrrolidine-2,3-dione
Catalog ID
STK632866
SMILES Fc1cccc(c1)C1N(CCN2CCOCC2)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 C22H25FN4O4 MW 428.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN4O4/c1-13-17(14(2)25-24-13)20(28)18-19(15-4-3-5-16(23)12-15)27(22(30)21(18)29)7-6-26-8-10-31-11-9-26/h3-5,12,19,28H,6-11H2,1-2H3,(H,24,25)/b20-18+InChIKey
SGARDXNBRHPBLO-CZIZESTLSA-NSynonyms
1187336-29-3(4E)4((35dimethyl1Hpyrazol4yl)(hydroxy)methylidene)5(3fluorophenyl)1(2(morpholin4yl)ethyl)pyrrolidine23dione
(4E)4((35dimethyl1Hpyrazol4yl)hydroxymethylidene)5(3fluorophenyl)1(2morpholin4ylethyl)pyrrolidine23dione
1187336293
CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC(=CC=C4)F)O
Fc1cccc(c1)C1N(CCN2CCOCC2)C(=O)C(=O)C1=C(c1c(C)n(nH)c1C)O
InChI=1SC22H25FN4O4c11317(14(2)252413)20(28)1819(1543516(23)1215)27(22(30)21(18)29)76268103111926h35121928H611H212H3(H2425)b2018+
MFCD18159914
ZINC000102736907
ZINC000102736910
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