Vitas-M small molecule compound
3-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)carbonyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL166067
SMILES Fc1ccc(cc1)C(=O)N1C2CC(N(C1=O)c1cc(C)cc(c1)C)(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 C26H23FN2O3 MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O3/c1-16-12-17(2)14-20(13-16)29-25(31)28(24(30)18-8-10-19(27)11-9-18)22-15-26(29,3)32-23-7-5-4-6-21(22)23/h4-14,22H,15H2,1-3H3InChIKey
GABAKIRPLSKPPT-UHFFFAOYSA-NSynonyms
3(35dimethylphenyl)5((4fluorophenyl)carbonyl)2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
CC1=CC(=CC(=C1)N2C(=O)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC=C(C=C5)F)C
InChI=1SC26H23FN2O3c1161217(2)1420(1316)2925(31)28(24(30)1881019(27)11918)221526(293)3223754621(22)23h41422H15H213H3
MFCD20735694
ZINC000102431404
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