Vitas-M small molecule compound

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

Catalog ID
STK573682
SMILES CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1ccc(cc1)C(=O)C

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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 C21H23NO5S MW 401.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5S/c1-14-19-13-21-20(26-10-3-11-27-21)12-17(19)8-9-22(14)28(24,25)18-6-4-16(5-7-18)15(2)23/h4-7,12-14H,3,8-11H2,1-2H3
InChIKey
NEAQRXTWGSALFX-UHFFFAOYSA-N
Synonyms
898923-29-0
1(4((7methyl2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)sulfonyl)phenyl)ethanone
1(4((7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)sulfonyl)phenyl)ethanone
898923290
CC1C2=CC3=C(C=C2CCN1S(=O)(=O)C4=CC=C(C=C4)C(=O)C)OCCCO3
InChI=1SC21H23NO5Sc11419132120(26103112721)1217(19)8922(14)28(2425)186416(5718)15(2)23h471214H3811H212H3
MFCD07639053
ZINC000005424060
ZINC000005424072

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Available files

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