Vitas-M small molecule compound
(13Z)-12-ethyl-13-(hydroxyimino)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,11b,12,13-octahydro-1H-isoquino[2,1-a]quinolin-1-one
Catalog ID
STL529469
SMILES CCC1/C(=N/O)/C2=C(N3C1c1cc(OC)c(cc1CC3)OC)CC(CC2=O)(C)C
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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 C23H30N2O4 MW 398.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O4/c1-6-14-21(24-27)20-16(11-23(2,3)12-17(20)26)25-8-7-13-9-18(28-4)19(29-5)10-15(13)22(14)25/h9-10,14,22,27H,6-8,11-12H2,1-5H3/b24-21-InChIKey
YCUGTVORTDTIRL-FLFQWRMESA-NSynonyms
(13~(Z))12ethyl13hydroxyimino910dimethoxy33dimethyl246711~(b)12hexahydroisoquinolino(21a)quinolin1one
(13Z)12ethyl13(hydroxyimino)910dimethoxy33dimethyl2346711b1213octahydro1Hisoquino(21a)quinolin1one
(Z)12ethyl13(hydroxyimino)910dimethoxy33dimethyl2346711b1213octahydro1Hisoquinolino(21a)quinolin1onehydrochloride
6081339
CCC1C(=NO)C2=C(N3C1c1cc(OC)c(cc1CC3)OC)CC(CC2=O)(C)CCl
InChI=1SC23H30N2O4c161421(2427)2016(1123(23)1217(20)26)258713918(284)19(295)1015(13)22(14)25h910142227H681112H215H3b2421
MFCD05672225
ZINC000001280675
ZINC000004073775
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