Vitas-M small molecule compound
17-(4,5-dimethyl-2-nitrophenyl)-1,8-dimethyl-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
STK257084
SMILES O=C1N(C(=O)C2C1C1(C)c3c(C2(C)c2c1cccc2)cccc3)c1cc(C)c(cc1[N+](=O)[O-])C
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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 C28H24N2O4 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O4/c1-15-13-21(22(30(33)34)14-16(15)2)29-25(31)23-24(26(29)32)28(4)19-11-7-5-9-17(19)27(23,3)18-10-6-8-12-20(18)28/h5-14,23-24H,1-4H3InChIKey
LDOVURRBGUVODD-UHFFFAOYSA-NSynonyms
17(45dimethyl2nitrophenyl)18dimethyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=CC(=C(C=C1C)(N+)(=O)(O))N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C
InChI=1SC28H24N2O4c1151321(22(30(33)34)1416(15)2)2925(31)2324(26(29)32)28(4)191175917(19)27(233)1810681220(18)28h5142324H14H3
MFCD03559583
O=C1N(C(=O)C2C1C1(C)c3c(C2(C)c2c1cccc2)cccc3)c1cc(C)c(cc1(N+)(=O)(O))C
ZINC000009355961
ZINC000018279956
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