Vitas-M small molecule compound
1-bromo-17-(3-chloro-4-methylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK246945
SMILES Cc1ccc(cc1Cl)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3
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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 C25H17BrClNO2 MW 478.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrClNO2/c1-13-10-11-14(12-19(13)27)28-23(29)21-20-15-6-2-4-8-17(15)25(26,22(21)24(28)30)18-9-5-3-7-16(18)20/h2-12,20-22H,1H3InChIKey
PUKOQZLBANFVEN-UHFFFAOYSA-NSynonyms
1bromo17(3chloro4methylphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=C(C=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br)Cl
InChI=1SC25H17BrClNO2c113101114(1219(13)27)2823(29)212015624817(15)25(2622(21)24(28)30)18953716(18)20h2122022H1H3
MFCD01070531
ZINC000002062931
ZINC000002062934
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