Vitas-M small molecule compound
14-(4-ethoxy-3-methoxyphenyl)-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
STK599292
SMILES CCOc1ccc(cc1OC)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 C29H31NO5 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO5/c1-5-33-24-7-6-17(10-25(24)32-4)20-12-21-19-13-27-26(34-16-35-27)11-18(19)8-9-30(21)22-14-29(2,3)15-23(31)28(20)22/h6-7,10-13,20H,5,8-9,14-16H2,1-4H3InChIKey
BXIGIXWIHTYSOI-UHFFFAOYSA-NSynonyms
14(4ethoxy3methoxyphenyl)33dimethyl2346714hexahydro1H(13)dioxolo(4567)isoquinolino(21a)quinolin1one
14(4ethoxy3methoxyphenyl)33dimethyl2346714hexahydro1H(13)dioxolo(67)isoquino(21a)quinolin1one
CCOC1=C(C=C(C=C1)C2C=C3C4=CC5=C(C=C4CCN3C6=C2C(=O)CC(C6)(C)C)OCO5)OC
InChI=1SC29H31NO5c1533247617(1025(24)324)20122119132726(34163527)1118(19)8930(21)221429(23)1523(31)28(20)22h67101320H5891416H214H3
MFCD07637954
ZINC000009045268
ZINC000009045271
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