Vitas-M small molecule compound

(11R,13aS)-5-methyl-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
STL537222
SMILES OC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N1C3C3CCOC3c3c1ccc(c3)C)O2

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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 C20H19NO5 MW 353.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)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/s1
InChIKey
MPMGYYYSXBITBB-YUQUNXNYSA-N
Synonyms

(1~(S)18~(R))10methyl15oxo621dioxa14azahexacyclo(16210^(116)0^(214)0^(37)0^(813))henicosa8(13)91119tetraene17carboxylicacid
(11R13aS)5methyl9oxo1299a101113b13coctahydro3aH1113aepoxyfuro(32c)isoindolo(21a)quinoline10carboxylicacid
(11R13aS)5methyl9oxo23a99a101113b13coctahydro1H1113aepoxyfuro(32c)isoindolo(21a)quinoline10carboxylicacid
16398385
InChI=1SC20H19NO5c19231211(89)1610(572516)17206413(2620)14(19(23)24)15(20)18(22)21(12)17h2468101317H57H21H3(H2324)t10?1314?15?16?17?20+m1s1
MFCD03661946
OC(=O)C1(C@H)2C=C(C@@)3(C1C(=O)N1C3C3CCOC3c3c1ccc(c3)C)O2
ZINC000002091446
ZINC000239347276

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Available files

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