Vitas-M small molecule compound

3,7-dibromo-9a,9b-diethyl-2,8-bis(ethylsulfanyl)-4,4,5,5,6,6-hexafluoro-5,6,9a,9b-tetrahydro-4H-indeno[5,4-b:6,7-b']bisthiophene

Catalog ID
STK675635
SMILES CCSC1=C(Br)C2=C3C(=C4C(C2(S1)CC)(CC)SC(=C4Br)SCC)C(C(C3(F)F)(F)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 C21H20Br2F6S4 MW 674.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Br2F6S4/c1-5-17-11(13(22)15(32-17)30-7-3)9-10(20(26,27)21(28,29)19(9,24)25)12-14(23)16(31-8-4)33-18(12,17)6-2/h5-8H2,1-4H3
InChIKey
GTTKSNOGUMVQOD-UHFFFAOYSA-N
Synonyms

37dibromo9a9bdiethyl28bis(ethylsulfanyl)445566hexafluoro569a9btetrahydro4Hindeno(54b67b)bisthiophene
CCC12C(=C3C(=C4C1(SC(=C4Br)SCC)CC)C(C(C3(F)F)(F)F)(F)F)C(=C(S2)SCC)Br
InChI=1SC21H20Br2F6S4c151711(13(22)15(3217)3073)910(20(2627)21(2829)19(924)25)1214(23)16(3184)3318(1217)62h58H214H3
MFCD01819830
ZINC000098002746
ZINC000098002748

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.