Vitas-M small molecule compound
1,4,5,6,7,7-hexachloro-3-{[3-(ethoxycarbonyl)-5-methyl-4-phenylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK424330
SMILES CCOC(=O)c1c(NC(=O)C2C(C(=O)O)C3(C(C2(Cl)C(=C3Cl)Cl)(Cl)Cl)Cl)sc(c1c1ccccc1)C
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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 C23H17Cl6NO5S MW 632.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl6NO5S/c1-3-35-20(34)12-11(10-7-5-4-6-8-10)9(2)36-18(12)30-17(31)13-14(19(32)33)22(27)16(25)15(24)21(13,26)23(22,28)29/h4-8,13-14H,3H2,1-2H3,(H,30,31)(H,32,33)InChIKey
HPEHDEVGSXYWMV-UHFFFAOYSA-NSynonyms
123477hexachloro6((3ethoxycarbonyl5methyl4phenylthiophen2yl)carbamoyl)bicyclo(221)hept2ene5carboxylicacid
145677hexachloro3((3(ethoxycarbonyl)5methyl4phenylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3C(C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O
InChI=1SC23H17Cl6NO5Sc133520(34)1211(107546810)9(2)3618(12)3017(31)1314(19(32)33)22(27)16(25)15(24)21(1326)23(2228)29h481314H3H212H3(H3031)(H3233)
MFCD01922183
ZINC000225636594
ZINC000225636675
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