Vitas-M small molecule compound
1-({2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-5-nitrophenyl}sulfonyl)azepane
Catalog ID
STK755382
SMILES [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)N/N=C/c1ccc2c(c1)OCO2
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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 C20H22N4O6S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O6S/c25-24(26)16-6-7-17(20(12-16)31(27,28)23-9-3-1-2-4-10-23)22-21-13-15-5-8-18-19(11-15)30-14-29-18/h5-8,11-13,22H,1-4,9-10,14H2/b21-13+InChIKey
GMAJVYZSSJXIDX-FYJGNVAPSA-NSynonyms
(O)(N+)(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)NN=Cc1ccc2c(c1)OCO2
1((2((2E)2(13benzodioxol5ylmethylidene)hydrazinyl)5nitrophenyl)sulfonyl)azepane
2(AZEPAN1YLSULFONYL)N((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)4NITROANILINE
C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)(N+)(=O)(O))NN=CC3=CC4=C(C=C3)OCO4
InChI=1SC20H22N4O6Sc2524(26)166717(20(1216)31(2728)23931241023)22211315581819(1115)30142918h58111322H1491014H2b2113+
MFCD00758248
ZINC000008826685
ZINC33642311
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