Vitas-M small molecule compound

16-(4-chlorophenyl)-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
STK597295
SMILES Clc1ccc(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 C28H28ClNO3 MW 461.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO3/c1-28(2)15-23-27(24(31)16-28)21(17-4-6-19(29)7-5-17)13-22-20-14-26-25(32-10-3-11-33-26)12-18(20)8-9-30(22)23/h4-7,12-14,21H,3,8-11,15-16H2,1-2H3
InChIKey
GMHMAVDXZPFNSN-UHFFFAOYSA-N
Synonyms
898919-60-3
16(4chlorophenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(4chlorophenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
898919603
CC1(CC2=C(C(C=C3N2CCC4=CC5=C(C=C43)OCCCO5)C6=CC=C(C=C6)Cl)C(=O)C1)C
InChI=1SC28H28ClNO3c128(2)152327(24(31)1628)21(174619(29)7517)132220142625(32103113326)1218(20)8930(22)23h47121421H38111516H212H3
MFCD07638159
ZINC000013576464
ZINC000013576467

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Available files

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