Vitas-M small molecule compound
N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitrobenzamide
Catalog ID
STK594554
SMILES Brc1cccc(c1)CN(C(=O)c1ccc(cc1)[N+](=O)[O-])C1CCS(=O)(=O)C1
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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 C18H17BrN2O5S MW 453.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN2O5S/c19-15-3-1-2-13(10-15)11-20(17-8-9-27(25,26)12-17)18(22)14-4-6-16(7-5-14)21(23)24/h1-7,10,17H,8-9,11-12H2InChIKey
XHXIIRAEARULII-UHFFFAOYSA-NSynonyms
877799-89-8877799898
Brc1cccc(c1)CN(C(=O)c1ccc(cc1)(N+)(=O)(O))C1CCS(=O)(=O)C1
C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H17BrN2O5Sc191531213(1015)1120(178927(2526)1217)18(22)144616(7514)21(23)24h171017H891112H2
MFCD05703830
N((3BROMOPHENYL)METHYL)N(11DIOXOTHIOLAN3YL)4NITROBENZAMIDE
N(3bromobenzyl)N(11dioxidotetrahydrothiophen3yl)4nitrobenzamide
ZINC000009345906
ZINC000009345909
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