Vitas-M small molecule compound
17-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]-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
STK269122
SMILES O=C1N(c2ccc(cc2)N2C(=O)C3C(C2=O)C2CC3CC2)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H26N2O4 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O4/c36-30-24-16-9-10-17(15-16)25(24)31(37)34(30)18-11-13-19(14-12-18)35-32(38)28-26-20-5-1-2-6-21(20)27(29(28)33(35)39)23-8-4-3-7-22(23)26/h1-8,11-14,16-17,24-29H,9-10,15H2InChIKey
DNOAUEBSLOJGFH-UHFFFAOYSA-NSynonyms
17(4(35dioxo4azatricyclo(5210~26~)dec4yl)phenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)N5C(=O)C6C(C5=O)C7C8=CC=CC=C8C6C9=CC=CC=C79
InChI=1SC33H26N2O4c3630241691017(1516)25(24)31(37)34(30)18111319(141218)3532(38)282620512621(20)27(29(28)33(35)39)23843722(23)26h18111416172429H91015H2
MFCD02019665
ZINC000102656921
ZINC000239038609
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