Vitas-M small molecule compound
4-nitro-N-[4-(4'-octylbiphenyl-4-yl)-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl]benzenesulfonamide
Catalog ID
STK023917
SMILES CCCCCCCCc1ccc(cc1)c1ccc(cc1)c1nc(n(c1)/N=C/c1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C36H37N5O4S MW 635.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N5O4S/c1-2-3-4-5-6-8-11-28-14-16-30(17-15-28)31-18-20-32(21-19-31)35-27-40(37-26-29-12-9-7-10-13-29)36(38-35)39-46(44,45)34-24-22-33(23-25-34)41(42)43/h7,9-10,12-27H,2-6,8,11H2,1H3,(H,38,39)/b37-26+InChIKey
INKPZLYWQPYTIN-AVLPFNLUSA-NSynonyms
4NITRON(4(4OCTYLBIPHENYL4YL)1(((E)PHENYLMETHYLIDENE)AMINO)1HIMIDAZOL2YL)BENZENESULFONAMIDE
CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN(C(=N3)NS(=O)(=O)C4=CC=C(C=C4)(N+)(=O)(O))N=CC5=CC=CC=C5
CCCCCCCCc1ccc(cc1)c1ccc(cc1)c1nc(n(c1)N=Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC36H37N5O4Sc12345681128141630(171528)31182032(211931)352740(3726291297101329)36(3835)3946(4445)34242233(232534)41(42)43h79101227H26811H21H3(H3839)b3726+
MFCD08049965
N(1((E)benzylideneamino)4(4(4octylphenyl)phenyl)imidazol2yl)4nitrobenzenesulfonamide
STK023917
ZINC000101406977
ZINC101406975
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