Vitas-M small molecule compound

N-[3-({5-[4-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)propyl]-4-(methylsulfonyl)-2-nitroaniline

Catalog ID
STK808172
SMILES [O-][N+](=O)c1cc(ccc1NCCCSc1nnc(o1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)S(=O)(=O)C

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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 C24H29N5O7S3 MW 595.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O7S3/c1-38(32,33)20-11-12-21(22(17-20)29(30)31)25-13-6-16-37-24-27-26-23(36-24)18-7-9-19(10-8-18)39(34,35)28-14-4-2-3-5-15-28/h7-12,17,25H,2-6,13-16H2,1H3
InChIKey
LKOQHMGZWSHSGO-UHFFFAOYSA-N
Synonyms
912906-86-6
((4(5(3((4(METHYLSULFONYL)2NITROPHENYL)AMINO)PROPYLTHIO)134OXADIAZOL2YL)PHENYL)SULFONYL)AZAPERHYDROEPINE
(O)(N+)(=O)c1cc(ccc1NCCCSc1nnc(o1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)S(=O)(=O)C
912906866
CS(=O)(=O)C1=CC(=C(C=C1)NCCCSC2=NN=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)(N+)(=O)(O)
InChI=1SC24H29N5O7S3c138(3233)20111221(22(1720)29(30)31)25136163724272623(3624)187919(10818)39(3435)281442351528h7121725H261316H21H3
MFCD09250110
N(3((5(4(azepan1ylsulfonyl)phenyl)134oxadiazol2yl)sulfanyl)propyl)4(methylsulfonyl)2nitroaniline
N(3((5(4(azepan1ylsulfonyl)phenyl)134oxadiazol2yl)sulfanyl)propyl)4methylsulfonyl2nitroaniline
N(3((5(4(AZEPAN1YLSULFONYL)PHENYL)134OXADIAZOL2YL)THIO)PROPYL)4(METHYLSULFONYL)2NITROANILINE
ZINC000098048364
ZINC98048364

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Available files

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