Vitas-M small molecule compound
7-tert-butyl-N'-[(1Z,2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
Catalog ID
STK065824
SMILES O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)N/N=C\C=C\c1cccc(c1)[N+](=O)[O-]
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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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-22(2,3)16-9-10-18-19(13-16)30-20(14-29-18)21(26)24-23-11-5-7-15-6-4-8-17(12-15)25(27)28/h4-13,20H,14H2,1-3H3,(H,24,26)/b7-5+,23-11-InChIKey
VFPRKZBCBZVPBG-ACECNVALSA-NSynonyms
6TERTBUTYLN((Z)((E)3(3NITROPHENYL)PROP2ENYLIDENE)AMINO)23DIHYDRO14BENZODIOXINE3CARBOXAMIDE
7TERTBUTYLN((1Z2E)3(3NITROPHENYL)PROP2EN1YLIDENE)23DIHYDRO14BENZODIOXINE2CARBOHYDRAZIDE
CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC=CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H23N3O5c122(23)169101819(1316)3020(142918)21(26)242311571564817(1215)25(27)28h41320H14H213H3(H2426)b75+2311
MFCD02314957
N((1Z3E)4(3NITROPHENYL)1AZABUTA13DIENYL)(7(TERTBUTYL)(2H3HBENZO(E)14DIOXIN2YL))CARBOXAMIDE
O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)NN=CC=Cc1cccc(c1)(N+)(=O)(O)
STK065824
ZINC000004523707
ZINC000004523709
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