Vitas-M small molecule compound
3-{[4-(biphenyl-4-yl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK959591
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)c1ccccc1)NC(=O)C1C2CCC(C1C(=O)O)O2
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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 C27H25NO6S MW 491.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6S/c1-2-33-27(32)21-18(17-10-8-16(9-11-17)15-6-4-3-5-7-15)14-35-25(21)28-24(29)22-19-12-13-20(34-19)23(22)26(30)31/h3-11,14,19-20,22-23H,2,12-13H2,1H3,(H,28,29)(H,30,31)InChIKey
OTJABGLNFNSTKM-UHFFFAOYSA-NSynonyms
1005111-87-41005111874
2(((3ETHOXYCARBONYL4(4PHENYLPHENYL)2THIOPHENYL)AMINO)OXOMETHYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
2((3CARBETHOXY4(4PHENYLPHENYL)2THIENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
2((3ETHOXYCARBONYL4(4PHENYLPHENYL)THIOPHEN2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3(((4(11BIPHENYL)4YL3(ETHOXYCARBONYL)2THIENYL)AMINO)CARBONYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
3((4(biphenyl4yl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4C5CCC(C4C(=O)O)O5
InChI=1SC27H25NO6Sc123327(32)2118(1710816(91117)156435715)143525(21)2824(29)2219121320(3419)23(22)26(30)31h3111419202223H21213H21H3(H2829)(H3031)
MFCD02372266
ZINC000137831985
ZINC000169300646
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