Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK633714
SMILES CN(CCCN1C(=O)C(=O)/C(=C(\c2c(C)nn(c2C)C)/O)/C1c1cccc(c1)Cl)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 C22H27ClN4O3 MW 430.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN4O3/c1-13-17(14(2)26(5)24-13)20(28)18-19(15-8-6-9-16(23)12-15)27(22(30)21(18)29)11-7-10-25(3)4/h6,8-9,12,19,28H,7,10-11H2,1-5H3/b20-18+InChIKey
LPKSOHBYQSWQKJ-CZIZESTLSA-NSynonyms
1010869-28-9(4E)5(3chlorophenyl)1(3(dimethylamino)propyl)4(hydroxy(135trimethyl1Hpyrazol4yl)methylidene)pyrrolidine23dione
(4E)5(3chlorophenyl)1(3(dimethylamino)propyl)4(hydroxy(135trimethylpyrazol4yl)methylidene)pyrrolidine23dione
1010869289
CC1=C(C(=NN1C)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=CC=C3)Cl)O
CN(CCCN1C(=O)C(=O)C(=C(c2c(C)nn(c2C)C)O)C1c1cccc(c1)Cl)C
InChI=1SC22H27ClN4O3c11317(14(2)26(5)2413)20(28)1819(1586916(23)1215)27(22(30)21(18)29)1171025(3)4h689121928H71011H215H3b2018+
MFCD18160182
ZINC000102737682
ZINC000102737684
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