Vitas-M small molecule compound

14-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,6,7,14-hexahydro-1H-[1,3]dioxolo[6,7]isoquino[2,1-a]quinolin-1-one

Catalog ID
STK585215
SMILES CCOc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCOc2c1

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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 C28H29NO4 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO4/c1-4-31-19-7-5-17(6-8-19)21-12-22-20-13-26-25(32-16-33-26)11-18(20)9-10-29(22)23-14-28(2,3)15-24(30)27(21)23/h5-8,11-13,21H,4,9-10,14-16H2,1-3H3
InChIKey
FGZPNPTYWDRTON-UHFFFAOYSA-N
Synonyms

14(4ethoxyphenyl)33dimethyl2346714hexahydro1H(13)dioxolo(4567)isoquinolino(21a)quinolin1one
14(4ethoxyphenyl)33dimethyl2346714hexahydro1H(13)dioxolo(67)isoquino(21a)quinolin1one
CCOC1=CC=C(C=C1)C2C=C3C4=CC5=C(C=C4CCN3C6=C2C(=O)CC(C6)(C)C)OCO5
InChI=1SC28H29NO4c1431197517(6819)21122220132625(32163326)1118(20)91029(22)231428(23)1524(30)27(21)23h58111321H49101416H213H3
MFCD07638239
ZINC000013576529
ZINC000013576530

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Available files

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