Vitas-M small molecule compound
8-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Catalog ID
STK577367
SMILES Clc1ccc(cc1C(F)(F)F)S(=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 C19H17ClF3NO4S MW 447.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClF3NO4S/c20-16-3-2-14(10-15(16)19(21,22)23)29(25,26)24-5-4-12-8-17-18(9-13(12)11-24)28-7-1-6-27-17/h2-3,8-10H,1,4-7,11H2InChIKey
QYROZUPTOHFISB-UHFFFAOYSA-NSynonyms
883961-10-28((4chloro3(trifluoromethyl)phenyl)sulfonyl)3478910hexahydro2H(14)dioxepino(23g)isoquinoline
8(4chloro3(trifluoromethyl)phenyl)sulfonyl2347910hexahydro(14)dioxepino(23g)isoquinoline
883961102
C1COC2=C(C=C3CN(CCC3=C2)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F)OC1
InChI=1SC19H17ClF3NO4Sc20163214(1015(16)19(2122)23)29(2526)24541281718(913(12)1124)287162717h23810H14711H2
MFCD06792486
ZINC000009429573
ZINC09429573
ZINC9429573
Check stock
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Check stock on Vitas-MAvailable files
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