Vitas-M small molecule compound
6-{[4-(4-cyclohexylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK423912
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C1CCCCC1)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 C27H31NO5S MW 481.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5S/c1-2-33-27(32)23-22(19-14-12-18(13-15-19)17-8-4-3-5-9-17)16-34-25(23)28-24(29)20-10-6-7-11-21(20)26(30)31/h6-7,12-17,20-21H,2-5,8-11H2,1H3,(H,28,29)(H,30,31)InChIKey
QCLXOTFTXRWJIK-UHFFFAOYSA-NSynonyms
6((4(4cyclohexylphenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((4(4CYCLOHEXYLPHENYL)3ETHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(4(4CYCLOHEXYLPHENYL)3(ETHOXYCARBONYL)2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4CC=CCC4C(=O)O
InChI=1SC27H31NO5Sc123327(32)2322(19141218(131519)178435917)163425(23)2824(29)2010671121(20)26(30)31h6712172021H25811H21H3(H2829)(H3031)
MFCD02244175
ZINC000002766895
ZINC000002766898
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