Vitas-M small molecule compound
N-[2-(azepan-1-yl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide
Catalog ID
STL123165
SMILES O=C(N1CCCCCC1)CN(S(=O)(=O)c1ccccc1[N+](=O)[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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c24-20(21-14-8-1-2-9-15-21)16-22(17-10-4-3-5-11-17)29(27,28)19-13-7-6-12-18(19)23(25)26/h3-7,10-13H,1-2,8-9,14-16H2InChIKey
WTURAUQKYOBPOH-UHFFFAOYSA-NSynonyms
C1CCCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC20H23N3O5Sc2420(211481291521)1622(17104351117)29(2728)1913761218(19)23(25)26h371013H12891416H2
MFCD03135273
N(2(azepan1yl)2oxoethyl)2nitroNphenylbenzenesulfonamide
O=C(N1CCCCCC1)CN(S(=O)(=O)c1ccccc1(N+)(=O)(O))c1ccccc1
ZINC000001170072
ZINC01170072
ZINC1170072
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