Vitas-M small molecule compound
1,4,5,6,7,7-hexachloro-3-{[4-(morpholin-4-ylcarbonyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK330838
SMILES O=C(c1ccc(cc1)NC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl)N1CCOCC1
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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 C20H16Cl6N2O5 MW 577.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl6N2O5/c21-13-14(22)19(24)12(17(31)32)11(18(13,23)20(19,25)26)15(29)27-10-3-1-9(2-4-10)16(30)28-5-7-33-8-6-28/h1-4,11-12H,5-8H2,(H,27,29)(H,31,32)InChIKey
AJEVUELJWBYNSC-UHFFFAOYSA-NSynonyms
123477hexachloro6((4(morpholine4carbonyl)phenyl)carbamoyl)bicyclo(221)hept2ene5carboxylicacid
145677hexachloro3((4(morpholin4ylcarbonyl)phenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3C(C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O
InChI=1SC20H16Cl6N2O5c211314(22)19(24)12(17(31)32)11(18(1323)20(1925)26)15(29)2710319(2410)16(30)2857338628h141112H58H2(H2729)(H3132)
MFCD01812537
ZINC000226773970
ZINC000226773994
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