Vitas-M small molecule compound

trans-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexanecarboxamide

Catalog ID
STK650229
SMILES O=C([C@@H]1CC[C@H](CC1)Cn1cnc2c(c1=O)cccc2)Nc1ccc2c(c1)OCCCO2

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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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c29-24(27-19-10-11-22-23(14-19)32-13-3-12-31-22)18-8-6-17(7-9-18)15-28-16-26-21-5-2-1-4-20(21)25(28)30/h1-2,4-5,10-11,14,16-18H,3,6-9,12-13,15H2,(H,27,29)/t17-,18-
InChIKey
YUAAWGWGVRJPDN-IYARVYRRSA-N
Synonyms

(1r4r)N(34dihydro2Hbenzo(b)(14)dioxepin7yl)4((4oxoquinazolin3(4H)yl)methyl)cyclohexanecarboxamide
MFCD13760888
O=C((C@@H)1CC(C@H)(CC1)Cn1cnc2c(c1=O)cccc2)Nc1ccc2c(c1)OCCCO2
transN(34dihydro2H15benzodioxepin7yl)4((4oxoquinazolin3(4H)yl)methyl)cyclohexanecarboxamide
ZINC000245257366

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Available files

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