Vitas-M small molecule compound
1,4,5,6,7,7-hexachloro-3-[(4-ethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK676153
SMILES CCOc1ccc(cc1)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 C17H13Cl6NO4 MW 508.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl6NO4/c1-2-28-8-5-3-7(4-6-8)24-13(25)9-10(14(26)27)16(21)12(19)11(18)15(9,20)17(16,22)23/h3-6,9-10H,2H2,1H3,(H,24,25)(H,26,27)InChIKey
XVWDYCAHQUAJMI-UHFFFAOYSA-NSynonyms
123477hexachloro6((4ethoxyphenyl)carbamoyl)bicyclo(221)hept2ene5carboxylicacid
145677hexachloro3((4ethoxyphenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CCOC1=CC=C(C=C1)NC(=O)C2C(C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O
InChI=1SC17H13Cl6NO4c12288537(468)2413(25)910(14(26)27)16(21)12(19)11(18)15(920)17(1622)23h36910H2H21H3(H2425)(H2627)
MFCD00167674
ZINC000100244769
ZINC000100244781
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