Vitas-M small molecule compound

1,4,5,6,7,7-hexachloro-3-{[4-(4-fluorophenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK424325
SMILES COC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl

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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 C21H12Cl6FNO5S MW 622.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12Cl6FNO5S/c1-34-18(33)10-9(7-2-4-8(28)5-3-7)6-35-16(10)29-15(30)11-12(17(31)32)20(25)14(23)13(22)19(11,24)21(20,26)27/h2-6,11-12H,1H3,(H,29,30)(H,31,32)
InChIKey
JIKOXJDFQLDKKZ-UHFFFAOYSA-N
Synonyms

123477hexachloro6((4(4fluorophenyl)3methoxycarbonylthiophen2yl)carbamoyl)bicyclo(221)hept2ene5carboxylicacid
145677hexachloro3((4(4fluorophenyl)3(methoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3C(C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O
InChI=1SC21H12Cl6FNO5Sc13418(33)109(7248(28)537)63516(10)2915(30)1112(17(31)32)20(25)14(23)13(22)19(1124)21(2026)27h261112H1H3(H2930)(H3132)
MFCD01922027
ZINC000225636482
ZINC000225636559

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Available files

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