Vitas-M small molecule compound
(3E)-3-[4-(1-ethyl-1H-pyrazol-5-yl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-ylidene]-6-methyl-2H-pyran-2,4(3H)-dione
Catalog ID
STL181487
SMILES CCn1nccc1C1C/C(=C/2\C(=O)OC(=CC2=O)C)/Nc2c(N1)cccc2
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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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-3-24-17(8-9-21-24)15-11-16(19-18(25)10-12(2)27-20(19)26)23-14-7-5-4-6-13(14)22-15/h4-10,15,22-23H,3,11H2,1-2H3/b19-16+InChIKey
WSSLLOZLWCSDDA-KNTRCKAVSA-NSynonyms
1263038-40-9(3E)3(2(2ethylpyrazol3yl)1235tetrahydro15benzodiazepin4ylidene)6methylpyran24dione
(3E)3(4(1ethyl1Hpyrazol5yl)1345tetrahydro2H15benzodiazepin2ylidene)6methyl2Hpyran24(3H)dione
1263038409
3(4(1ETHYLPYRAZOL5YL)(1H3H4H5HBENZO(B)14DIAZEPIN2YLIDENE))6METHYLPYRAN24DIONE
CCN1C(=CC=N1)C2CC(=C3C(=O)C=C(OC3=O)C)NC4=CC=CC=C4N2
CCn1nccc1C1CC(=C2C(=O)OC(=CC2=O)C)Nc2c(N1)cccc2
InChI=1SC20H20N4O3c132417(892124)151116(1918(25)1012(2)2720(19)26)2314754613(14)2215h410152223H311H212H3b1916+
MFCD20760069
ZINC000102449949
ZINC000102449953
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