Vitas-M small molecule compound

1-(dodecylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene

Catalog ID
STK370675
SMILES CCCCCCCCCCCCSc1ccc(cc1[N+](=O)[O-])C(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 C19H28F3NO2S MW 391.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28F3NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-26-18-13-12-16(19(20,21)22)15-17(18)23(24)25/h12-13,15H,2-11,14H2,1H3
InChIKey
KHIZPZYIFRDVGG-UHFFFAOYSA-N
Synonyms

1(dodecylsulfanyl)2nitro4(trifluoromethyl)benzene
1DODECYLSULFANYL2NITRO4(TRIFLUOROMETHYL)BENZENE
1DODECYLSULFANYL2NITRO4TRIFLUOROMETHYLBENZENE
1DODECYLTHIO2NITRO4(TRIFLUOROMETHYL)BENZENE
2NITRO4(TRIFLUOROMETHYL)PHENYLDODECYLSULFIDE
CCCCCCCCCCCCSC1=C(C=C(C=C1)C(F)(F)F)(N+)(=O)(O)
CCCCCCCCCCCCSc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC19H28F3NO2Sc1234567891011142618131216(19(2021)22)1517(18)23(24)25h121315H21114H21H3
MFCD00018044
ZINC000096022250
ZINC96022250

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Available files

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