Vitas-M small molecule compound
1,3-benzodioxol-5-ylmethyl (6S)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Catalog ID
STK407722
SMILES CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H]2CC(N1)(C)Oc1c2cccc1
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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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c1-13-20(16-10-22(2,23-13)28-17-6-4-3-5-15(16)17)21(24)25-11-14-7-8-18-19(9-14)27-12-26-18/h3-9,16,23H,10-12H2,1-2H3/t16-,22?/m0/s1InChIKey
ZQVPPHHDCGMHHF-CISYCMJJSA-NSynonyms
13benzodioxol5ylmethyl(6S)24dimethyl36dihydro2H26methano13benzoxazocine5carboxylate
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)(C@H)2CC(N1)(C)Oc1c2cccc1
CC1=C(C2CC(N1)(OC3=CC=CC=C23)C)C(=O)OCC4=CC5=C(C=C4)OCO5
InChI=1SC22H21NO5c11320(161022(22313)2817643515(16)17)21(24)251114781819(914)27122618h391623H1012H212H3t1622?m0s1
MFCD13368872
ZINC000019933907
ZINC000101623557
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