Vitas-M small molecule compound

2-[(4-methylphenyl)sulfonyl]-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole

Catalog ID
STK766442
SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2=Cc3ccccc3Oc3c2c1cc(c3)[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 C22H16N2O5S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O5S/c1-14-6-8-18(9-7-14)30(27,28)23-13-16-10-15-4-2-3-5-20(15)29-21-12-17(24(25)26)11-19(23)22(16)21/h2-12H,13H2,1H3
InChIKey
DSVKGUDYAVMNHR-UHFFFAOYSA-N
Synonyms

2((4methylphenyl)sulfonyl)4nitro12dihydro(1)benzoxepino(432cd)indole
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC4=CC=CC=C4OC5=C3C2=CC(=C5)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC2=Cc3ccccc3Oc3c2c1cc(c3)(N+)(=O)(O)
InChI=1SC22H16N2O5Sc1146818(9714)30(2728)2313161015423520(15)29211217(24(25)26)1119(23)22(16)21h212H13H21H3
MFCD03017709
ZINC000000717719
ZINC00717719
ZINC717719

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Available files

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