Vitas-M small molecule compound
3,3-dimethyl-16-phenyl-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
STK579721
SMILES O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1OCCCOc1c2)c1ccccc1
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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 C28H29NO3 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO3/c1-28(2)16-23-27(24(30)17-28)21(18-7-4-3-5-8-18)14-22-20-15-26-25(31-11-6-12-32-26)13-19(20)9-10-29(22)23/h3-5,7-8,13-15,21H,6,9-12,16-17H2,1-2H3InChIKey
VRSUVUBTXIPLIS-UHFFFAOYSA-NSynonyms
898920-03-133dimethyl16phenyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
33dimethyl16phenyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
898920031
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC=CC=C6)C(=O)C1)C
InChI=1SC28H29NO3c128(2)162327(24(30)1728)21(187435818)142220152625(31116123226)1319(20)91029(22)23h3578131521H69121617H212H3
MFCD07638190
ZINC000005353902
ZINC000005353907
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