Vitas-M small molecule compound

8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline

Catalog ID
STK580092
SMILES O=S(=O)(c1ccccc1)N1CCc2c(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 C18H19NO4S MW 345.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO4S/c20-24(21,16-5-2-1-3-6-16)19-8-7-14-11-17-18(12-15(14)13-19)23-10-4-9-22-17/h1-3,5-6,11-12H,4,7-10,13H2
InChIKey
JNTNSDCJIQJRON-UHFFFAOYSA-N
Synonyms
883959-75-9
8(benzenesulfonyl)2347910hexahydro(14)dioxepino(23g)isoquinoline
8(phenylsulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
883959759
C1COC2=C(C=C3CN(CCC3=C2)S(=O)(=O)C4=CC=CC=C4)OC1
InChI=1SC18H19NO4Sc2024(21165213616)198714111718(1215(14)1319)2310492217h13561112H471013H2
MFCD06789675
ZINC000005347335
ZINC05347335
ZINC5347335

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Available files

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