Vitas-M small molecule compound

2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-1-(10H-phenothiazin-10-yl)ethanone

Catalog ID
STK596651
SMILES O=C(N1c2ccccc2Sc2c1cccc2)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 C27H26N2O3S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S/c1-18-20-16-24-23(31-13-6-14-32-24)15-19(20)11-12-28(18)17-27(30)29-21-7-2-4-9-25(21)33-26-10-5-3-8-22(26)29/h2-5,7-10,15-16,18H,6,11-14,17H2,1H3
InChIKey
HCTXRUFPAOJTNA-UHFFFAOYSA-N
Synonyms
879761-53-2
2(7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)1phenothiazin10ylethanone
2(7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)1(10Hphenothiazin10yl)ethanone
879761532
CC1C2=CC3=C(C=C2CCN1CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)OCCCO3
InChI=1SC27H26N2O3Sc11820162423(31136143224)1519(20)111228(18)1727(30)2921724925(21)33261053822(26)29h25710151618H6111417H21H3
MFCD07639046
ZINC000008995461
ZINC000008995462

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Available files

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