Vitas-M small molecule compound
(3E)-3-{4-[3-(4-methoxyphenyl)-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
STL178371
SMILES COc1ccc(cc1)c1n[nH]cc1C1C/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 C25H22N4O4 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4/c1-14-11-22(30)23(25(31)33-14)21-12-20(27-18-5-3-4-6-19(18)28-21)17-13-26-29-24(17)15-7-9-16(32-2)10-8-15/h3-11,13,20,27-28H,12H2,1-2H3,(H,26,29)/b23-21+InChIKey
NQRDOKUEFFCYFG-XTQSDGFTSA-NSynonyms
1263038-76-1(3E)3(2(5(4methoxyphenyl)1Hpyrazol4yl)1235tetrahydro15benzodiazepin4ylidene)6methylpyran24dione
(3E)3(4(3(4methoxyphenyl)1Hpyrazol4yl)1345tetrahydro2H15benzodiazepin2ylidene)6methyl2Hpyran24(3H)dione
1263038761
3(4(3(4METHOXYPHENYL)PYRAZOL4YL)(1H3H4H5HBENZO(B)14DIAZEPIN2YLIDENE))6METHYLPYRAN24DIONE
CC1=CC(=O)C(=C2CC(NC3=CC=CC=C3N2)C4=C(NN=C4)C5=CC=C(C=C5)OC)C(=O)O1
COc1ccc(cc1)c1n(nH)cc1C1CC(=C2C(=O)OC(=CC2=O)C)Nc2c(N1)cccc2
InChI=1SC25H22N4O4c1141122(30)23(25(31)3314)211220(2718534619(18)2821)1713262924(17)157916(322)10815h31113202728H12H212H3(H2629)b2321+
MFCD20760032
ZINC000102444811
ZINC000102444816
Check stock
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