Vitas-M small molecule compound

N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide

Catalog ID
STK572240
SMILES O=C(Nc1cc(Cl)ccc1n1ncnc1)CN1CCc2c(C1)cc1c(c2)OCCCO1

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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 C22H22ClN5O3 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3/c23-17-2-3-19(28-14-24-13-25-28)18(10-17)26-22(29)12-27-5-4-15-8-20-21(9-16(15)11-27)31-7-1-6-30-20/h2-3,8-10,13-14H,1,4-7,11-12H2,(H,26,29)
InChIKey
HRHAJOZSGMSNCD-UHFFFAOYSA-N
Synonyms
902313-99-9
902313999
C1COC2=C(C=C3CN(CCC3=C2)CC(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5)OC1
InChI=1SC22H22ClN5O3c23172319(281424132528)18(1017)2622(29)1227541582021(916(15)1127)317163020h238101314H1471112H2(H2629)
MFCD06792262
N(5chloro2(124triazol1yl)phenyl)2(2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)acetamide
N(5chloro2(1H124triazol1yl)phenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)acetamide
ZINC000009429450
ZINC9429450

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Available files

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