Vitas-M small molecule compound
14-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-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
STL533717
SMILES COc1cc(cc2c1OCCO2)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 C29H29NO6 MW 487.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO6/c1-29(2)13-21-27(22(31)14-29)19(17-9-25(32-3)28-26(10-17)33-6-7-34-28)11-20-18-12-24-23(35-15-36-24)8-16(18)4-5-30(20)21/h8-12,19H,4-7,13-15H2,1-3H3InChIKey
IBBBVVWYULHCCI-UHFFFAOYSA-NSynonyms
903453-12-314(8methoxy23dihydro14benzodioxin6yl)33dimethyl2346714hexahydro1H(13)dioxolo(67)isoquino(21a)quinolin1one
14(8methoxy23dihydrobenzo(b)(14)dioxin6yl)33dimethyl2346714hexahydro1H(13)dioxolo(4567)isoquinolino(21a)quinolin1one
16406145
20(5methoxy23dihydro14benzodioxin7yl)1616dimethyl57dioxa13azapentacyclo(11800^(210)0^(48)0^(1419))henicosa1(21)24(8)914(19)pentaen18one
903453123
InChI=1SC29H29NO6c129(2)132127(22(31)1429)19(17925(323)2826(1017)33673428)112018122423(35153624)816(18)4530(20)21h81219H471315H213H3
MFCD07637471
ZINC000012889131
ZINC000012889138
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