Vitas-M small molecule compound
N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Catalog ID
STK583524
SMILES O=C(Nc1cc(Cl)ccc1n1ncnc1)CN1CCc2c(C1C)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 C23H24ClN5O3 MW 453.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5O3/c1-15-18-11-22-21(31-7-2-8-32-22)9-16(18)5-6-28(15)12-23(30)27-19-10-17(24)3-4-20(19)29-14-25-13-26-29/h3-4,9-11,13-15H,2,5-8,12H2,1H3,(H,27,30)InChIKey
YEXUUCQCDHYFCY-UHFFFAOYSA-NSynonyms
898920-84-8898920848
CC1C2=CC3=C(C=C2CCN1CC(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5)OCCCO3
InChI=1SC23H24ClN5O3c11518112221(317283222)916(18)5628(15)1223(30)27191017(24)3420(19)291425132629h349111315H25812H21H3(H2730)
MFCD07639416
N(5chloro2(124triazol1yl)phenyl)2(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)acetamide
N(5chloro2(1H124triazol1yl)phenyl)2(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)acetamide
ZINC000009128918
ZINC000009128919
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