Vitas-M small molecule compound
5-hydroxy-3-(3-oxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Catalog ID
STK937783
SMILES O=C1Nc2ccccc2C(=NC1CCC(=O)N1CCN(CC1)C/C=C/c1ccccc1)O
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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 C25H28N4O3 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3/c30-23(13-12-22-25(32)26-21-11-5-4-10-20(21)24(31)27-22)29-17-15-28(16-18-29)14-6-9-19-7-2-1-3-8-19/h1-11,22H,12-18H2,(H,26,32)(H,27,31)/b9-6+InChIKey
GPUIPSZPWZMFFA-RMKNXTFCSA-NSynonyms
3(3oxo3(4((E)3phenylprop2enyl)piperazin1yl)propyl)34dihydro1H14benzodiazepine25dione
5hydroxy3(3oxo3(4((2E)3phenylprop2en1yl)piperazin1yl)propyl)13dihydro2H14benzodiazepin2one
C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)CCC3C(=O)NC4=CC=CC=C4C(=O)N3
InChI=1SC25H28N4O3c3023(13122225(32)262111541020(21)24(31)2722)29171528(161829)1469197213819h11122H1218H2(H2632)(H2731)b96+
MFCD18178771
O=C1Nc2ccccc2C(=NC1CCC(=O)N1CCN(CC1)CC=Cc1ccccc1)O
ZINC000036360535
ZINC000044903122
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