Vitas-M small molecule compound

ethyl (5-{[4-(2-hydroxyethyl)piperazin-1-yl]acetyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate

Catalog ID
STL307797
SMILES OCCN1CCN(CC1)CC(=O)N1c2ccccc2CCc2c1cc(cc2)NC(=O)OCC

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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 C25H32N4O4 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4/c1-2-33-25(32)26-21-10-9-20-8-7-19-5-3-4-6-22(19)29(23(20)17-21)24(31)18-28-13-11-27(12-14-28)15-16-30/h3-6,9-10,17,30H,2,7-8,11-16,18H2,1H3,(H,26,32)
InChIKey
ZDVNOSSLXBFBLQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN4CCN(CC4)CCO)C=C1
ETHOXYN(5(2(4(2HYDROXYETHYL)PIPERAZINYL)ACETYL)(10H11HDIBENZO(BF)AZEPIN3YL))CARBOXAMIDE
ethyl(5((4(2hydroxyethyl)piperazin1yl)acetyl)1011dihydro5Hdibenzo(bf)azepin3yl)carbamate
ethyl(5(2(4(2hydroxyethyl)piperazin1yl)acetyl)1011dihydro5Hdibenzo(bf)azepin3yl)carbamatedihydrochloride
ETHYLN(11(2(4(2HYDROXYETHYL)PIPERAZIN1YL)ACETYL)56DIHYDROBENZO(B)(1)BENZAZEPIN2YL)CARBAMATE
InChI=1SC25H32N4O4c123325(32)2621109208719534622(19)29(23(20)1721)24(31)1828131127(121428)151630h369101730H278111618H21H3(H2632)
MFCD01533869
OCCN1CCN(CC1)CC(=O)N1c2ccccc2CCc2c1cc(cc2)NC(=O)OCCClCl
ZINC000019866383
ZINC19866383

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Available files

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