Vitas-M small molecule compound
17-(4-butoxyphenyl)-1-nitro-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
STK759586
SMILES CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1([N+](=O)[O-])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 C28H24N2O5 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5/c1-2-3-16-35-18-14-12-17(13-15-18)29-26(31)24-23-19-8-4-6-10-21(19)28(30(33)34,25(24)27(29)32)22-11-7-5-9-20(22)23/h4-15,23-25H,2-3,16H2,1H3InChIKey
GOLRPYWOPDWENP-UHFFFAOYSA-NSynonyms
17(4butoxyphenyl)1nitro17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CCCCOC1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)(N+)(=O)(O)
CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1((N+)(=O)(O))c3c(C2c2c1cccc2)cccc3
InChI=1SC28H24N2O5c123163518141217(131518)2926(31)2423198461021(19)28(30(33)3425(24)27(29)32)221175920(22)23h4152325H2316H21H3
MFCD01070493
ZINC000003668378
ZINC000003668381
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