Vitas-M small molecule compound
8-[(2-nitrophenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Catalog ID
STK574669
SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)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 C18H18N2O6S MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O6S/c21-20(22)15-4-1-2-5-18(15)27(23,24)19-7-6-13-10-16-17(11-14(13)12-19)26-9-3-8-25-16/h1-2,4-5,10-11H,3,6-9,12H2InChIKey
JHEXNSPVUOJFHC-UHFFFAOYSA-NSynonyms
883960-97-2(O)(N+)(=O)c1ccccc1S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1
8((2nitrophenyl)sulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(2nitrophenyl)sulfonyl2347910hexahydro(14)dioxepino(23g)isoquinoline
883960972
C1COC2=C(C=C3CN(CCC3=C2)S(=O)(=O)C4=CC=CC=C4(N+)(=O)(O))OC1
InChI=1SC18H18N2O6Sc2120(22)15412518(15)27(2324)197613101617(1114(13)1219)269382516h12451011H36912H2
MFCD06793005
ZINC000005349192
ZINC05349192
ZINC5349192
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