Vitas-M small molecule compound

16-(3,4-diethoxyphenyl)-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
STK583130
SMILES CCOc1cc(ccc1OCC)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 C32H37NO5 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO5/c1-5-35-27-9-8-20(14-28(27)36-6-2)23-16-24-22-17-30-29(37-12-7-13-38-30)15-21(22)10-11-33(24)25-18-32(3,4)19-26(34)31(23)25/h8-9,14-17,23H,5-7,10-13,18-19H2,1-4H3
InChIKey
NUDAHHJWBXUUBI-UHFFFAOYSA-N
Synonyms
898916-76-2
16(34diethoxyphenyl)33dimethyl23467111216octahydro1H10H(14)dioxepino(2367)isoquino(21a)quinolin1one
16(34diethoxyphenyl)33dimethyl346710111216octahydro(14)dioxepino(2367)isoquinolino(21a)quinolin1(2H)one
898916762
CCOC1=C(C=C(C=C1)C2C=C3C4=CC5=C(C=C4CCN3C6=C2C(=O)CC(C6)(C)C)OCCCO5)OCC
InChI=1SC32H37NO5c1535279820(1428(27)3662)23162422173029(37127133830)1521(22)101133(24)251832(34)1926(34)31(23)25h89141723H5710131819H214H3
MFCD07639957
ZINC000009129284
ZINC000013591404

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Available files

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