Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK960181
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)O3)sc(c1c1ccc(cc1)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 C23H25NO6S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO6S/c1-4-29-23(28)19-16(13-7-5-11(2)6-8-13)12(3)31-21(19)24-20(25)17-14-9-10-15(30-14)18(17)22(26)27/h5-8,14-15,17-18H,4,9-10H2,1-3H3,(H,24,25)(H,26,27)InChIKey
UCJWPLQWDAAVMD-UHFFFAOYSA-NSynonyms
2(((3ETHOXYCARBONYL5METHYL4(4METHYLPHENYL)2THIOPHENYL)AMINO)OXOMETHYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
2((3CARBETHOXY5METHYL4(PTOLYL)2THIENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
2((3ETHOXYCARBONYL5METHYL4(4METHYLPHENYL)THIOPHEN2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3(((3(ETHOXYCARBONYL)5METHYL4(4METHYLPHENYL)2THIENYL)AMINO)CARBONYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
3((3(ethoxycarbonyl)5methyl4(4methylphenyl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(3(ETHOXYCARBONYL)5METHYL4(4METHYLPHENYL)2THIENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC23H25NO6Sc142923(28)1916(137511(2)6813)12(3)3121(19)2420(25)171491015(3014)18(17)22(26)27h5814151718H4910H213H3(H2425)(H2627)
MFCD02607215
ZINC000137818882
ZINC000169687366
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