Vitas-M small molecule compound
3-({3-(ethoxycarbonyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK424142
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C3)sc(c1c1ccc(cc1)CC(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 C27H33NO5S MW 483.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO5S/c1-5-33-27(32)23-20(17-8-6-16(7-9-17)12-14(2)3)15(4)34-25(23)28-24(29)21-18-10-11-19(13-18)22(21)26(30)31/h6-9,14,18-19,21-22H,5,10-13H2,1-4H3,(H,28,29)(H,30,31)InChIKey
AIHDAPMXABDLBI-UHFFFAOYSA-NSynonyms
2((3ETHOXYCARBONYL5METHYL4(4(2METHYLPROPYL)PHENYL)THIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((3(ethoxycarbonyl)5methyl4(4(2methylpropyl)phenyl)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(3(ETHOXYCARBONYL)5METHYL4(4(2METHYLPROPYL)PHENYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)CC(C)C)C)NC(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC27H33NO5Sc153327(32)2320(178616(7917)1214(2)3)15(4)3425(23)2824(29)2118101119(1318)22(21)26(30)31h691418192122H51013H214H3(H2829)(H3031)
MFCD02176876
ZINC000102187841
ZINC000138214784
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