Vitas-M small molecule compound
3-(3-ethylphenyl)-2-methyl-5-[(2-methylphenyl)carbonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL192580
SMILES CCc1cccc(c1)N1C(=O)N(C2CC1(C)Oc1c2cccc1)C(=O)c1ccccc1C
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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 C27H26N2O3 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3/c1-4-19-11-9-12-20(16-19)29-26(31)28(25(30)21-13-6-5-10-18(21)2)23-17-27(29,3)32-24-15-8-7-14-22(23)24/h5-16,23H,4,17H2,1-3H3InChIKey
IKPSHQRLFRRLSW-UHFFFAOYSA-NSynonyms
3(3ethylphenyl)2methyl5((2methylphenyl)carbonyl)2356tetrahydro4H26methano135benzoxadiazocin4one
CCC1=CC(=CC=C1)N2C(=O)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC=CC=C5C
InChI=1SC27H26N2O3c14191191220(1619)2926(31)28(25(30)2113651018(21)2)231727(293)322415871422(23)24h51623H417H213H3
MFCD14725966
ZINC000100032916
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