Vitas-M small molecule compound
3-{[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Catalog ID
STK392826
SMILES O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(o1)c1cc(C)c(c(c1)[N+](=O)[O-])C
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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 C22H21NO7 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO7/c1-13-10-15(11-18(14(13)2)23(26)27)19-7-6-16(28-19)12-17-20(24)29-22(30-21(17)25)8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3InChIKey
SBBNDQUBTIWWPS-UHFFFAOYSA-NSynonyms
3((5(34dimethyl5nitrophenyl)furan2yl)methylidene)15dioxaspiro(55)undecane24dione
3((5(45DIMETHYL3NITROPHENYL)2FURYL)METHYLENE)15DIOXASPIRO(55)UNDECANE24DIONE
9((5(34DIMETHYL5NITROPHENYL)FURAN2YL)METHYLIDENE)711DIOXASPIRO(55)UNDECANE810DIONE
CC1=C(C(=CC(=C1)C2=CC=C(O2)C=C3C(=O)OC4(CCCCC4)OC3=O)(N+)(=O)(O))C
InChI=1SC22H21NO7c1131015(1118(14(13)2)23(26)27)197616(2819)121720(24)2922(3021(17)25)8435922h671012H3589H212H3
MFCD01874594
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(o1)c1cc(C)c(c(c1)(N+)(=O)(O))C
ZINC000004501840
ZINC04501840
ZINC4501840
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