Vitas-M small molecule compound
5-[(2-chlorophenyl)carbonyl]-3-(3-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL141967
SMILES CCc1cccc(c1)N1C(=O)N(C2CC1(C)Oc1c2cccc1)C(=O)c1ccccc1Cl
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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/c1-3-17-9-8-10-18(15-17)29-25(31)28(24(30)19-11-4-6-13-21(19)27)22-16-26(29,2)32-23-14-7-5-12-20(22)23/h4-15,22H,3,16H2,1-2H3InChIKey
JVOAMQRCQIOTBO-UHFFFAOYSA-NSynonyms
5((2chlorophenyl)carbonyl)3(3ethylphenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
CCC1=CC(=CC=C1)N2C(=O)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC=CC=C5Cl
InChI=1SC26H23ClN2O3c1317981018(1517)2925(31)28(24(30)1911461321(19)27)221626(292)322314751220(22)23h41522H316H212H3
MFCD14725963
ZINC000100032902
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