Vitas-M small molecule compound
3-{[4-(2,4-dimethylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK466726
SMILES CCOC(=O)c1c(scc1c1ccc(cc1C)C)NC(=O)C1C2CCC(C1C(=O)O)CC2
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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 C25H29NO5S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S/c1-4-31-25(30)21-18(17-10-5-13(2)11-14(17)3)12-32-23(21)26-22(27)19-15-6-8-16(9-7-15)20(19)24(28)29/h5,10-12,15-16,19-20H,4,6-9H2,1-3H3,(H,26,27)(H,28,29)InChIKey
PJCJKCAHPFHKGV-UHFFFAOYSA-NSynonyms
2((4(24dimethylphenyl)3ethoxycarbonylthiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((4(24dimethylphenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(4(24DIMETHYLPHENYL)3(ETHOXYCARBONYL)2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC25H29NO5Sc143125(30)2118(1710513(2)1114(17)3)123223(21)2622(27)19156816(9715)20(19)24(28)29h5101215161920H469H213H3(H2627)(H2829)
MFCD06155942
ZINC000020168148
ZINC000020168154
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