Vitas-M small molecule compound
3-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK467731
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C(C)(C)C)NC(=O)C1C2CCC(C1C(=O)O)C2
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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 C26H31NO5S MW 469.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5S/c1-5-32-25(31)21-18(14-8-10-17(11-9-14)26(2,3)4)13-33-23(21)27-22(28)19-15-6-7-16(12-15)20(19)24(29)30/h8-11,13,15-16,19-20H,5-7,12H2,1-4H3,(H,27,28)(H,29,30)InChIKey
BALQHTAUOZEFSF-UHFFFAOYSA-NSynonyms
2((4(4tertbutylphenyl)3ethoxycarbonylthiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((4(4tertbutylphenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(4(4(TERTBUTYL)PHENYL)3(ETHOXYCARBONYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC26H31NO5Sc153225(31)2118(1481017(11914)26(23)4)133323(21)2722(28)19156716(1215)20(19)24(29)30h8111315161920H5712H214H3(H2728)(H2930)
MFCD02254838
ZINC000102332403
ZINC000138216623
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