Vitas-M small molecule compound
3,5-dinitro-N'-[(1S,2R,4S,5Z,6R)-3-(phenylcarbonyl)-7,9-dioxatricyclo[4.2.1.0~2,4~]non-5-ylidene]benzohydrazide
Catalog ID
STK755292
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N/N=C/1\[C@@H]2OC[C@@H](O2)[C@@H]2[C@H]1C2C(=O)c1ccccc1
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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 C21H16N4O8 MW 452.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O8/c26-19(10-4-2-1-3-5-10)17-15-14-9-32-21(33-14)18(16(15)17)22-23-20(27)11-6-12(24(28)29)8-13(7-11)25(30)31/h1-8,14-17,21H,9H2,(H,23,27)/b22-18-/t14-,15-,16+,17?,21-/m1/s1InChIKey
CIZRBZQICZJVBQ-TYKWKABVSA-NSynonyms
35dinitroN((1S2R4S5Z6R)3(phenylcarbonyl)79dioxatricyclo(4210~24~)non5ylidene)benzohydrazide
C1C2C3C(C3C(=O)C4=CC=CC=C4)C(=NNC(=O)C5=CC(=CC(=C5)(N+)(=O)(O))(N+)(=O)(O))C(O1)O2
InChI=1SC21H16N4O8c2619(104213510)17151493221(3314)18(16(15)17)222320(27)11612(24(28)29)813(711)25(30)31h18141721H9H2(H2327)b2218t141516+17?21m1s1
MFCD08141981
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))NN=C1(C@@H)2OC(C@@H)(O2)(C@@H)2(C@H)1C2C(=O)c1ccccc1
ZINC000015162430
ZINC000015162433
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