Vitas-M small molecule compound
(3E)-3-[4-(1-cyclopentyl-3-methyl-1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-ylidene]-6-methyl-2H-pyran-2,4(3H)-dione
Catalog ID
STL178374
SMILES CC1=CC(=O)/C(=C/2\Nc3ccccc3NC(C2)c2cn(nc2C)C2CCCC2)/C(=O)O1
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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 C24H26N4O3 MW 418.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3/c1-14-11-22(29)23(24(30)31-14)21-12-20(25-18-9-5-6-10-19(18)26-21)17-13-28(27-15(17)2)16-7-3-4-8-16/h5-6,9-11,13,16,20,25-26H,3-4,7-8,12H2,1-2H3/b23-21+InChIKey
BMCJIOJAAKDZOG-XTQSDGFTSA-NSynonyms
1263038-43-2(3E)3(2(1cyclopentyl3methylpyrazol4yl)1235tetrahydro15benzodiazepin4ylidene)6methylpyran24dione
(3E)3(4(1cyclopentyl3methyl1Hpyrazol4yl)1345tetrahydro2H15benzodiazepin2ylidene)6methyl2Hpyran24(3H)dione
1263038432
3(4(1CYCLOPENTYL3METHYLPYRAZOL4YL)(1H3H4H5HBENZO(B)14DIAZEPIN2YLIDENE))6METHYLPYRAN24DIONE
CC1=CC(=O)C(=C2CC(NC3=CC=CC=C3N2)C4=CN(N=C4C)C5CCCC5)C(=O)O1
CC1=CC(=O)C(=C2Nc3ccccc3NC(C2)c2cn(nc2C)C2CCCC2)C(=O)O1
InChI=1SC24H26N4O3c1141122(29)23(24(30)3114)211220(25189561019(18)2621)171328(2715(17)2)16734816h569111316202526H347812H212H3b2321+
MFCD20760033
ZINC000102444848
ZINC000102444853
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