Vitas-M small molecule compound
1-acetyl-17-(4-methoxy-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
STK279114
SMILES COc1ccc(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 C27H20N2O6 MW 468.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O6/c1-14(30)27-18-9-5-3-7-16(18)22(17-8-4-6-10-19(17)27)23-24(27)26(32)28(25(23)31)20-12-11-15(35-2)13-21(20)29(33)34/h3-13,22-24H,1-2H3InChIKey
VJSHJZIGCFPFTN-UHFFFAOYSA-NSynonyms
1acetyl17(4methoxy2nitrophenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=C(C=C(C=C6)OC)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(C(=O)C)c3c(C2c2c1cccc2)cccc3
InChI=1SC27H20N2O6c114(30)2718953716(18)22(178461019(17)27)2324(27)26(32)28(25(23)31)20121115(352)1321(20)29(33)34h3132224H12H3
MFCD01802324
ZINC000009096098
ZINC000009096101
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