Vitas-M small molecule compound
3-(4-fluorobenzyl)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1H-indole
Catalog ID
STK774004
SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])Cc1ccc(cc1)F
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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 C22H16FN3O6S MW 469.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O6S/c1-14-2-8-19(9-3-14)33(31,32)24-13-16(10-15-4-6-17(23)7-5-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-9,11-13H,10H2,1H3InChIKey
PTFQQBWUVLKUEH-UHFFFAOYSA-NSynonyms
3((4FLUOROPHENYL)METHYL)1(4METHYLPHENYL)SULFONYL46DINITROINDOLE
3(4fluorobenzyl)1((4methylphenyl)sulfonyl)46dinitro1Hindole
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C=C32)(N+)(=O)(O))(N+)(=O)(O))CC4=CC=C(C=C4)F
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O))Cc1ccc(cc1)F
InChI=1SC22H16FN3O6Sc1142819(9314)33(3132)241316(10154617(23)7515)2220(24)1118(25(27)28)1221(22)26(29)30h291113H10H21H3
MFCD03855958
ZINC000003627692
ZINC03627692
ZINC3627692
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