Vitas-M small molecule compound
6-{[4-(3,4-dichlorophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK316862
SMILES CCOC(=O)c1c(scc1c1ccc(c(c1)Cl)Cl)NC(=O)C1CC=CCC1C(=O)O
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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 C21H19Cl2NO5S MW 468.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2NO5S/c1-2-29-21(28)17-14(11-7-8-15(22)16(23)9-11)10-30-19(17)24-18(25)12-5-3-4-6-13(12)20(26)27/h3-4,7-10,12-13H,2,5-6H2,1H3,(H,24,25)(H,26,27)InChIKey
BNCLUKHSEJVMNQ-UHFFFAOYSA-NSynonyms
495395-97-6495395976
6(((4(34DICHLOROPHENYL)3(ETHOXYCARBONYL)THIEN2YL)AMINO)CARBONYL)CYCLOHEX3ENE1CARBOXYLICACID
6((4(34dichlorophenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((4(34DICHLOROPHENYL)3ETHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC21H19Cl2NO5Sc122921(28)1714(117815(22)16(23)911)103019(17)2418(25)12534613(12)20(26)27h347101213H256H21H3(H2425)(H2627)
MFCD02254800
ZINC000008453950
ZINC000008453957
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