Vitas-M small molecule compound

16-(4-methoxyphenyl)-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
STK579429
SMILES COc1ccc(cc1)C1C=C2N(C3=C1C(=O)CCC3)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 C27H27NO4 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO4/c1-30-19-8-6-17(7-9-19)21-15-23-20-16-26-25(31-12-3-13-32-26)14-18(20)10-11-28(23)22-4-2-5-24(29)27(21)22/h6-9,14-16,21H,2-5,10-13H2,1H3
InChIKey
CZHKCKQKAUPPFV-UHFFFAOYSA-N
Synonyms

16(4methoxyphenyl)23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(4methoxyphenyl)346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
COC1=CC=C(C=C1)C2C=C3C4=CC5=C(C=C4CCN3C6=C2C(=O)CCC6)OCCCO5
InChI=1SC27H27NO4c130198617(7919)21152320162625(31123133226)1418(20)101128(23)2242524(29)27(21)22h69141621H251013H21H3
MFCD07641710
ZINC000009042679
ZINC000009129997

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Available files

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