Vitas-M small molecule compound
3,5-dinitro-N'-[(1S,2R,4S,5Z,6R)-3-(thiophen-2-ylcarbonyl)-7,9-dioxatricyclo[4.2.1.0~2,4~]non-5-ylidene]benzohydrazide
Catalog ID
STK755293
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)c1cccs1
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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 C19H14N4O8S MW 458.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O8S/c24-17(12-2-1-3-32-12)15-13-11-7-30-19(31-11)16(14(13)15)20-21-18(25)8-4-9(22(26)27)6-10(5-8)23(28)29/h1-6,11,13-15,19H,7H2,(H,21,25)/b20-16-/t11-,13-,14+,15?,19-/m1/s1InChIKey
OZCNKKYIDMVWOO-UIZVMVIJSA-NSynonyms
35dinitroN((1S2R4S5Z6R)3(thiophen2ylcarbonyl)79dioxatricyclo(4210~24~)non5ylidene)benzohydrazide
C1C2C3C(C3C(=O)C4=CC=CS4)C(=NNC(=O)C5=CC(=CC(=C5)(N+)(=O)(O))(N+)(=O)(O))C(O1)O2
InChI=1SC19H14N4O8Sc2417(122133212)15131173019(3111)16(14(13)15)202118(25)849(22(26)27)610(58)23(28)29h1611131519H7H2(H2125)b2016t111314+15?19m1s1
MFCD08141982
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)c1cccs1
ZINC000015162439
ZINC000015162442
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