Vitas-M small molecule compound

(11bR)-5,13,13-trimethyl-7-oxo-7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid

Catalog ID
STL566274
SMILES CC1N2[C@H](CC(c3c1cccc3)(C)C)c1c(C2=O)c(ccc1)C(=O)O

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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 C21H21NO3 MW 335.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3/c1-12-13-7-4-5-10-16(13)21(2,3)11-17-14-8-6-9-15(20(24)25)18(14)19(23)22(12)17/h4-10,12,17H,11H2,1-3H3,(H,24,25)/t12?,17-/m1/s1
InChIKey
NQBARXGSXIAIJK-RGUGMKFQSA-N
Synonyms
773058-16-5
(11bR)51313trimethyl7oxo11b12dihydro5Hisoindolo(21b)(2)benzazepine8carboxylicacid
(11bR)51313trimethyl7oxo711b1213tetrahydro5Hbenzo(56)azepino(21a)isoindole8carboxylicacid
(11bR)51313trimethyl7oxo711b1213tetrahydro5Hisoindolo(21b)(2)benzazepine8carboxylicacid
16397303
773058165
CC1N2(C@H)(CC(c3c1cccc3)(C)C)c1c(C2=O)c(ccc1)C(=O)O
InChI=1SC21H21NO3c112137451016(13)21(23)11171486915(20(24)25)18(14)19(23)22(12)17h4101217H11H213H3(H2425)t12?17m1s1
ZINC000004029027
ZINC000004029028

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Available files

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