Vitas-M small molecule compound

tert-butyl 4-[(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)acetyl]piperazine-1-carboxylate

Catalog ID
STL309381
SMILES OC1=Nc2ccccc2C(=O)NC1CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C

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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 C20H26N4O5 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O5/c1-20(2,3)29-19(28)24-10-8-23(9-11-24)16(25)12-15-18(27)21-14-7-5-4-6-13(14)17(26)22-15/h4-7,15H,8-12H2,1-3H3,(H,21,27)(H,22,26)
InChIKey
KAFWOTBGIMWSLR-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2C(=O)NC3=CC=CC=C3C(=O)N2
InChI=1SC20H26N4O5c120(23)2919(28)2410823(91124)16(25)121518(27)2114754613(14)17(26)2215h4715H812H213H3(H2127)(H2226)
MFCD28028896
tertbutyl4((2hydroxy5oxo45dihydro3H14benzodiazepin3yl)acetyl)piperazine1carboxylate
tertbutyl4(2(25dioxo34dihydro1H14benzodiazepin3yl)acetyl)piperazine1carboxylate
ZINC000079480511
ZINC000095472531

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Available files

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