Vitas-M small molecule compound
9-bromo-2-[(4-methylphenyl)sulfonyl]-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Catalog ID
STK681167
SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2=Cc3cc(Br)ccc3Oc3c2c1cc(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 C22H15BrN2O5S MW 499.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrN2O5S/c1-13-2-5-18(6-3-13)31(28,29)24-12-15-8-14-9-16(23)4-7-20(14)30-21-11-17(25(26)27)10-19(24)22(15)21/h2-11H,12H2,1H3InChIKey
QSWROISQSKQHEU-UHFFFAOYSA-NSynonyms
9bromo2((4methylphenyl)sulfonyl)4nitro12dihydro(1)benzoxepino(432cd)indole
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC4=C(C=CC(=C4)Br)OC5=C3C2=CC(=C5)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC2=Cc3cc(Br)ccc3Oc3c2c1cc(c3)(N+)(=O)(O)
InChI=1SC22H15BrN2O5Sc1132518(6313)31(2829)241215814916(23)4720(14)30211117(25(26)27)1019(24)22(15)21h211H12H21H3
MFCD03768339
ZINC000001076229
ZINC01076229
ZINC1076229
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