Vitas-M small molecule compound
1-acetyl-17-(3-bromo-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
STK279112
SMILES Cc1ccc(cc1Br)N1C(=O)C2C(C1=O)C1(C(=O)C)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 C27H20BrNO3 MW 486.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrNO3/c1-14-11-12-16(13-21(14)28)29-25(31)23-22-17-7-3-5-9-19(17)27(15(2)30,24(23)26(29)32)20-10-6-4-8-18(20)22/h3-13,22-24H,1-2H3InChIKey
LRACYKLLBZLHMD-UHFFFAOYSA-NSynonyms
1acetyl17(3bromo4methylphenyl)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)C(=O)C)Br
InChI=1SC27H20BrNO3c114111216(1321(14)28)2925(31)232217735919(17)27(15(2)3024(23)26(29)32)201064818(20)22h3132224H12H3
MFCD01802299
ZINC000001091378
ZINC000001091381
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