Vitas-M small molecule compound
16-(2-chlorophenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Catalog ID
STK594713
SMILES O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1c(c2)OCCCO1)c1ccccc1Cl
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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 C28H28ClNO3 MW 461.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO3/c1-28(2)15-23-27(24(31)16-28)20(18-6-3-4-7-21(18)29)13-22-19-14-26-25(32-10-5-11-33-26)12-17(19)8-9-30(22)23/h3-4,6-7,12-14,20H,5,8-11,15-16H2,1-2H3InChIKey
OSWRRWKRLKIIEW-UHFFFAOYSA-NSynonyms
883950-51-416(2chlorophenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(2chlorophenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
883950514
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC=CC=C6Cl)C(=O)C1)C
InChI=1SC28H28ClNO3c128(2)152327(24(31)1628)20(18634721(18)29)132219142625(32105113326)1217(19)8930(22)23h3467121420H58111516H212H3
MFCD07639049
ZINC000009128685
ZINC000013577211
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