Vitas-M small molecule compound
1-(dodecylsulfonyl)-2-nitro-4-[(trifluoromethyl)sulfanyl]benzene
Catalog ID
STK370682
SMILES CCCCCCCCCCCCS(=O)(=O)c1ccc(cc1[N+](=O)[O-])SC(F)(F)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 C19H28F3NO4S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28F3NO4S2/c1-2-3-4-5-6-7-8-9-10-11-14-29(26,27)18-13-12-16(28-19(20,21)22)15-17(18)23(24)25/h12-13,15H,2-11,14H2,1H3InChIKey
PJODDXHTRDIGAG-UHFFFAOYSA-NSynonyms
1(dodecylsulfonyl)2nitro4((trifluoromethyl)sulfanyl)benzene
1DODECYLSULFONYL2NITRO4(TRIFLUOROMETHYLSULFANYL)BENZENE
CCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)SC(F)(F)F)(N+)(=O)(O)
CCCCCCCCCCCCS(=O)(=O)c1ccc(cc1(N+)(=O)(O))SC(F)(F)F
InChI=1SC19H28F3NO4S2c12345678910111429(2627)18131216(2819(2021)22)1517(18)23(24)25h121315H21114H21H3
MFCD00334793
ZINC000102059345
ZINC102059345
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