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2-[(4-methylphenyl)sulfonyl]-4-nitro-9-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole

Catalog ID
STK685785
SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2=Cc3cc(ccc3Oc3c2c1cc(c3)[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3

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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 C32H30N2O5S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O5S/c1-19-2-5-27(6-3-19)40(37,38)33-18-24-11-23-12-25(32-15-20-8-21(16-32)10-22(9-20)17-32)4-7-29(23)39-30-14-26(34(35)36)13-28(33)31(24)30/h2-7,11-14,20-22H,8-10,15-18H2,1H3
InChIKey
PPJNFWABBFQEIU-UHFFFAOYSA-N
Synonyms
2((4methylphenyl)sulfonyl)4nitro9(tricyclo(3311~37~)dec1yl)12dihydro(1)benzoxepino(432cd)indole
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC4=C(C=CC(=C4)C56CC7CC(C5)CC(C7)C6)OC8=C3C2=CC(=C8)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC2=Cc3cc(ccc3Oc3c2c1cc(c3)(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3
Registry IDs
MFCD06013346
ZINC000098007410
ZINC98007410

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Available files

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