Vitas-M small molecule compound
(11R,13aS)-5-methoxy-9-oxo-1,2,9,9a,10,11,13b,13c-octahydro-3aH-11,13a-epoxyfuro[3,2-c]isoindolo[2,1-a]quinoline-10-carboxylic acid
Catalog ID
STL540947
SMILES COc1ccc2c(c1)C1OCCC1C1N2C(=O)C2[C@]31C=C[C@@H](C2C(=O)O)O3
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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 C20H19NO6 MW 369.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO6/c1-25-9-2-3-12-11(8-9)16-10(5-7-26-16)17-20-6-4-13(27-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/t10?,13-,14?,15?,16?,17?,20+/m1/s1InChIKey
BSOQQWLMYGZOQB-YUQUNXNYSA-NSynonyms
(1~(S)18~(R))10methoxy15oxo621dioxa14azahexacyclo(16210^(116)0^(214)0^(37)0^(813))henicosa8(13)91119tetraene17carboxylicacid
(11R13aS)5methoxy9oxo1299a101113b13coctahydro3aH1113aepoxyfuro(32c)isoindolo(21a)quinoline10carboxylicacid
(11R13aS)5methoxy9oxo23a99a101113b13coctahydro1H1113aepoxyfuro(32c)isoindolo(21a)quinoline10carboxylicacid
16398370
COc1ccc2c(c1)C1OCCC1C1N2C(=O)C2(C@)31C=C(C@H)(C2C(=O)O)O3
InChI=1SC20H19NO6c1259231211(89)1610(572616)17206413(2720)14(19(23)24)15(20)18(22)21(12)17h2468101317H57H21H3(H2324)t10?1314?15?16?17?20+m1s1
MFCD03661891
ZINC000004044050
ZINC000252693194
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