Vitas-M small molecule compound
16-(4-ethoxyphenyl)-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
STK599021
SMILES CCOc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCCCOc2c1
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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 C30H33NO4 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO4/c1-4-33-21-8-6-19(7-9-21)23-15-24-22-16-28-27(34-12-5-13-35-28)14-20(22)10-11-31(24)25-17-30(2,3)18-26(32)29(23)25/h6-9,14-16,23H,4-5,10-13,17-18H2,1-3H3InChIKey
XOIJHURENNKNNG-UHFFFAOYSA-NSynonyms
898919-68-116(4ethoxyphenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(4ethoxyphenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
898919681
CCOC1=CC=C(C=C1)C2C=C3C4=CC5=C(C=C4CCN3C6=C2C(=O)CC(C6)(C)C)OCCCO5
InChI=1SC30H33NO4c1433218619(7921)23152422162827(34125133528)1420(22)101131(24)251730(23)1826(32)29(23)25h69141623H4510131718H213H3
MFCD07640292
ZINC000013591557
ZINC000013591559
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