Vitas-M small molecule compound

4-(9,10-dimethoxy-3,3-dimethyl-1-oxo-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-13-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile

Catalog ID
STK593604
SMILES COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3cc(n(c3C)C)C#N)c2cc1OC

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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 C28H31N3O3 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3/c1-16-19(10-18(15-29)30(16)4)21-11-22-20-12-26(34-6)25(33-5)9-17(20)7-8-31(22)23-13-28(2,3)14-24(32)27(21)23/h9-12,21H,7-8,13-14H2,1-6H3
InChIKey
KHEVENMGOWMWMZ-UHFFFAOYSA-N
Synonyms
898923-32-5
4(910dimethoxy33dimethyl1oxo2346713hexahydro1Hisoquino(21a)quinolin13yl)15dimethyl1Hpyrrole2carbonitrile
4(910dimethoxy33dimethyl1oxo2346713hexahydro1Hisoquinolino(21a)quinolin13yl)15dimethyl1Hpyrrole2carbonitrile
4(910dimethoxy33dimethyl1oxo46713tetrahydro2Hisoquinolino(21a)quinolin13yl)15dimethylpyrrole2carbonitrile
898923325
CC1=C(C=C(N1C)C#N)C2C=C3C4=CC(=C(C=C4CCN3C5=C2C(=O)CC(C5)(C)C)OC)OC
InChI=1SC28H31N3O3c11619(1018(1529)30(16)4)211122201226(346)25(335)917(20)7831(22)231328(23)1424(32)27(21)23h91221H781314H216H3
MFCD07639878
ZINC000009129247
ZINC000013591376

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Available files

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