Vitas-M small molecule compound

5-[(3-chlorophenyl)carbonyl]-3-(3-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one

Catalog ID
STL192587
SMILES CCc1cccc(c1)N1C(=O)N(C2CC1(C)Oc1c2cccc1)C(=O)c1cccc(c1)Cl

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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 C26H23ClN2O3 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O3/c1-3-17-8-6-11-20(14-17)29-25(31)28(24(30)18-9-7-10-19(27)15-18)22-16-26(29,2)32-23-13-5-4-12-21(22)23/h4-15,22H,3,16H2,1-2H3
InChIKey
CBTMXGDHIQFRDC-UHFFFAOYSA-N
Synonyms

5((3chlorophenyl)carbonyl)3(3ethylphenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
CCC1=CC(=CC=C1)N2C(=O)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC(=CC=C5)Cl
InChI=1SC26H23ClN2O3c1317861120(1417)2925(31)28(24(30)18971019(27)1518)221626(292)322313541221(22)23h41522H316H212H3
MFCD14725956
ZINC000100032884

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Available files

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