Vitas-M small molecule compound

2-hydroxy-3-{3-oxo-3-[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]propyl}-3,4-dihydro-5H-1,4-benzodiazepin-5-one

Catalog ID
STL535842
SMILES COc1c(OC)ccc(c1OC)CN1CCN(CC1)C(=O)CCC1NC(=O)c2c(N=C1O)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 C26H32N4O6 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O6/c1-34-21-10-8-17(23(35-2)24(21)36-3)16-29-12-14-30(15-13-29)22(31)11-9-20-26(33)27-19-7-5-4-6-18(19)25(32)28-20/h4-8,10,20H,9,11-16H2,1-3H3,(H,27,33)(H,28,32)
InChIKey
CMUAWCUZFRTBSL-UHFFFAOYSA-N
Synonyms

2hydroxy3(3oxo3(4(234trimethoxybenzyl)piperazin1yl)propyl)34dihydro5H14benzodiazepin5one
3(3oxo3(4((234trimethoxyphenyl)methyl)piperazin1yl)propyl)34dihydro1~(H)14benzodiazepine25dione
45598517
InChI=1SC26H32N4O6c1342110817(23(352)24(21)363)1629121430(151329)22(31)1192026(33)2719754618(19)25(32)2820h481020H91116H213H3(H2733)(H2832)
MFCD31754182
ZINC000032123863
ZINC000036593391

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.