Vitas-M small molecule compound
16-(4-methoxyphenyl)-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
STK580275
SMILES COc1ccc(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 C29H31NO4 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO4/c1-29(2)16-24-28(25(31)17-29)22(18-5-7-20(32-3)8-6-18)14-23-21-15-27-26(33-11-4-12-34-27)13-19(21)9-10-30(23)24/h5-8,13-15,22H,4,9-12,16-17H2,1-3H3InChIKey
SSZBAEGXERSWHE-UHFFFAOYSA-NSynonyms
16(4methoxyphenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(4methoxyphenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC=C(C=C6)OC)C(=O)C1)C
InChI=1SC29H31NO4c129(2)162428(25(31)1729)22(185720(323)8618)142321152726(33114123427)1319(21)91030(23)24h58131522H49121617H213H3
MFCD07640079
ZINC000009129348
ZINC000013591463
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