Vitas-M small molecule compound
7-tert-butyl-N'-[(Z)-(5-hydroxy-2-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
Catalog ID
STK394395
SMILES O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)N/N=C\c1cc(O)ccc1[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 C20H21N3O6 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6/c1-20(2,3)13-4-7-16-17(9-13)29-18(11-28-16)19(25)22-21-10-12-8-14(24)5-6-15(12)23(26)27/h4-10,18,24H,11H2,1-3H3,(H,22,25)/b21-10-InChIKey
DUWNPYFGYOYNGV-FBHDLOMBSA-NSynonyms
6TERTBUTYLN((Z)(5HYDROXY2NITROPHENYL)METHYLIDENEAMINO)23DIHYDRO14BENZODIOXINE3CARBOXAMIDE
7tertbutylN((Z)(5hydroxy2nitrophenyl)methylidene)23dihydro14benzodioxine2carbohydrazide
CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=C(C=CC(=C3)O)(N+)(=O)(O)
InChI=1SC20H21N3O6c120(23)13471617(913)2918(112816)19(25)22211012814(24)5615(12)23(26)27h4101824H11H213H3(H2225)b2110
MFCD02314952
N((1Z)2(3HYDROXY6NITROPHENYL)1AZAVINYL)(7(TERTBUTYL)(2H3HBENZO(E)14DIOXIN2YL))CARBOXAMIDE
O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)NN=Cc1cc(O)ccc1(N+)(=O)(O)
ZINC000034703935
ZINC000034703937
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