Vitas-M small molecule compound
2-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Catalog ID
STK315973
SMILES CCOC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc(c1c1ccc(cc1)C(C)(C)C)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 C26H33NO5S MW 471.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5S/c1-6-32-25(31)21-20(16-11-13-17(14-12-16)26(3,4)5)15(2)33-23(21)27-22(28)18-9-7-8-10-19(18)24(29)30/h11-14,18-19H,6-10H2,1-5H3,(H,27,28)(H,29,30)InChIKey
NVZPDAJZNMZKRY-UHFFFAOYSA-NSynonyms
495375-53-62(((4(4TERTBUTYLPHENYL)3(ETHOXYCARBONYL)5METHYLTHIEN2YL)AMINO)CARBONYL)CYCLOHEXANECARBOXYLICACID
2((4(4tertbutylphenyl)3(ethoxycarbonyl)5methylthiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((4(4TERTBUTYLPHENYL)3ETHOXYCARBONYL5METHYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
495375536
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)(C)C)C)NC(=O)C3CCCCC3C(=O)O
InChI=1SC26H33NO5Sc163225(31)2120(16111317(141216)26(34)5)15(2)3323(21)2722(28)189781019(18)24(29)30h11141819H610H215H3(H2728)(H2930)
MFCD02176305
ZINC000008455876
ZINC000008455879
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