Vitas-M small molecule compound
(4E)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)(hydroxy)methylidene]-1-[2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK641583
SMILES O=C1C(=O)N(C(/C/1=C(/c1c(C)n[nH]c1C)\O)c1cccs1)CCN1CCOCC1
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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 C20H24N4O4S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O4S/c1-12-15(13(2)22-21-12)18(25)16-17(14-4-3-11-29-14)24(20(27)19(16)26)6-5-23-7-9-28-10-8-23/h3-4,11,17,25H,5-10H2,1-2H3,(H,21,22)/b18-16+InChIKey
BMEDSSZKFPFCGQ-FBMGVBCBSA-NSynonyms
1239251-25-2(4E)4((35dimethyl1Hpyrazol4yl)(hydroxy)methylidene)1(2(morpholin4yl)ethyl)5(thiophen2yl)pyrrolidine23dione
(4E)4((35dimethyl1Hpyrazol4yl)hydroxymethylidene)1(2morpholin4ylethyl)5thiophen2ylpyrrolidine23dione
1239251252
CC1=C(C(=NN1)C)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CS4)O
InChI=1SC20H24N4O4Sc11215(13(2)222112)18(25)1617(1443112914)24(20(27)19(16)26)6523792810823h34111725H510H212H3(H2122)b1816+
MFCD18162694
O=C1C(=O)N(C(C1=C(c1c(C)n(nH)c1C)O)c1cccs1)CCN1CCOCC1
ZINC000102747714
ZINC000102747716
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