Vitas-M small molecule compound
16-(3-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
STK581204
SMILES COc1cccc(c1)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(18-6-4-7-20(12-18)32-3)14-23-21-15-27-26(33-10-5-11-34-27)13-19(21)8-9-30(23)24/h4,6-7,12-15,22H,5,8-11,16-17H2,1-3H3InChIKey
ZNHJREAMNFIKPS-UHFFFAOYSA-NSynonyms
879466-84-916(3methoxyphenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(3methoxyphenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
879466849
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC(=CC=C6)OC)C(=O)C1)C
InChI=1SC29H31NO4c129(2)162428(25(31)1729)22(1864720(1218)323)142321152726(33105113427)1319(21)8930(23)24h467121522H58111617H213H3
MFCD07639422
ZINC000008971016
ZINC000009128923
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