Vitas-M small molecule compound
2-[(4-methylphenyl)sulfonyl]-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
Catalog ID
STK772061
SMILES Cc1ccc(cc1)S(=O)(=O)n1cc2c3c1cc(cc3Oc1c(C2)cccc1)[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/h2-9,11-13H,10H2,1H3InChIKey
OMKIILGJVTVMOD-UHFFFAOYSA-NSynonyms
2((4methylphenyl)sulfonyl)4nitro211dihydro(1)benzoxepino(432cd)indole
CC1=CC=C(C=C1)S(=O)(=O)N2C=C3CC4=CC=CC=C4OC5=C3C2=CC(=C5)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)n1cc2c3c1cc(cc3Oc1c(C2)cccc1)(N+)(=O)(O)
InChI=1SC22H16N2O5Sc1146818(9714)30(2728)2313161015423520(15)29211217(24(25)26)1119(23)22(16)21h291113H10H21H3
MFCD03768044
ZINC000001075708
ZINC01075708
ZINC1075708
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