Vitas-M small molecule compound
(4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Catalog ID
STK637097
SMILES CN(CCCN1C(=O)C(=O)/C(=C(\c2c(C)nn(c2C)C)/O)/C1c1cccnc1)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 C21H27N5O3 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3/c1-13-16(14(2)25(5)23-13)19(27)17-18(15-8-6-9-22-12-15)26(21(29)20(17)28)11-7-10-24(3)4/h6,8-9,12,18,27H,7,10-11H2,1-5H3/b19-17+InChIKey
TWTAYKNAMRXKAC-HTXNQAPBSA-NSynonyms
1010864-12-6(4E)1(3(dimethylamino)propyl)4(hydroxy(135trimethyl1Hpyrazol4yl)methylidene)5(pyridin3yl)pyrrolidine23dione
(4E)1(3(dimethylamino)propyl)4(hydroxy(135trimethylpyrazol4yl)methylidene)5pyridin3ylpyrrolidine23dione
1010864126
CC1=C(C(=NN1C)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CN=CC=C3)O
CN(CCCN1C(=O)C(=O)C(=C(c2c(C)nn(c2C)C)O)C1c1cccnc1)C
InChI=1SC21H27N5O3c11316(14(2)25(5)2313)19(27)1718(15869221215)26(21(29)20(17)28)1171024(3)4h689121827H71011H215H3b1917+
MFCD18161269
ZINC000102741666
ZINC000102741670
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