Vitas-M small molecule compound
1-acetyl-17-(4-bromo-2-nitrophenyl)-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
STK279111
SMILES Brc1ccc(c(c1)[N+](=O)[O-])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 C26H17BrN2O5 MW 517.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17BrN2O5/c1-13(30)26-17-8-4-2-6-15(17)21(16-7-3-5-9-18(16)26)22-23(26)25(32)28(24(22)31)19-11-10-14(27)12-20(19)29(33)34/h2-12,21-23H,1H3InChIKey
REJJGJJKPKUYSQ-UHFFFAOYSA-NSynonyms
1acetyl17(4bromo2nitrophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
Brc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(C(=O)C)c3c(C2c2c1cccc2)cccc3
CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=C(C=C(C=C6)Br)(N+)(=O)(O)
InChI=1SC26H17BrN2O5c113(30)2617842615(17)21(16735918(16)26)2223(26)25(32)28(24(22)31)19111014(27)1220(19)29(33)34h2122123H1H3
MFCD01802323
ZINC000100186591
ZINC000100186614
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