Vitas-M small molecule compound

7-methyl-8-[(2,4,6-trimethylphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline

Catalog ID
STK591084
SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCc2c(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 C22H27NO4S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4S/c1-14-10-15(2)22(16(3)11-14)28(24,25)23-7-6-18-12-20-21(13-19(18)17(23)4)27-9-5-8-26-20/h10-13,17H,5-9H2,1-4H3
InChIKey
HPIUONPNEBUDLV-UHFFFAOYSA-N
Synonyms
898917-83-4
7methyl8((246trimethylphenyl)sulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
7methyl8(246trimethylphenyl)sulfonyl2347910hexahydro(14)dioxepino(23g)isoquinoline
8(mesitylsulfonyl)7methyl3478910hexahydro2H(14)dioxepino(23g)isoquinoline
898917834
CC1C2=CC3=C(C=C2CCN1S(=O)(=O)C4=C(C=C(C=C4C)C)C)OCCCO3
InChI=1SC22H27NO4Sc1141015(2)22(16(3)1114)28(2425)237618122021(1319(18)17(23)4)279582620h101317H59H214H3
MFCD07638747
ZINC000005422102
ZINC000005422112

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Available files

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