Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide

Catalog ID
STK571621
SMILES O=C(Nc1ccc2c(c1)OCCO2)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

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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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c29-23(26-19-9-10-21-22(15-19)33-13-12-32-21)8-2-1-5-11-27-24(30)20-14-17-6-3-4-7-18(17)16-28(20)25(27)31/h3-4,6-7,9-10,15,20H,1-2,5,8,11-14,16H2,(H,26,29)/t20-/m0/s1
InChIKey
KBSMACWERCNOLL-FQEVSTJZSA-N
Synonyms
1014043-23-2
(S)N(23dihydrobenzo(b)(14)dioxin6yl)6(13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)hexanamide
1014043232
6((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N(23dihydro14benzodioxin6yl)hexanamide
C1COC2=C(O1)C=CC(=C2)NC(=O)CCCCCN3C(=O)C4CC5=CC=CC=C5CN4C3=O
InChI=1SC25H27N3O5c2923(26199102122(1519)3313123221)8215112724(30)201417634718(17)1628(20)25(27)31h34679101520H1258111416H2(H2629)t20m0s1
MFCD07638353
N(23dihydro14benzodioxin6yl)6((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)hexanamide
O=C(Nc1ccc2c(c1)OCCO2)CCCCCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000013576633
ZINC13576633

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Available files

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