Vitas-M small molecule compound
3-{[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK430399
SMILES O=C(C1C2CCC(C1C(=O)O)O2)Nc1sc(c(n1)c1ccc(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 C19H20N2O4S MW 372.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O4S/c1-9-3-5-11(6-4-9)16-10(2)26-19(20-16)21-17(22)14-12-7-8-13(25-12)15(14)18(23)24/h3-6,12-15H,7-8H2,1-2H3,(H,23,24)(H,20,21,22)InChIKey
HXFJUGYORBSKGD-UHFFFAOYSA-NSynonyms
2((5METHYL4(4METHYLPHENYL)13THIAZOL2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((5methyl4(4methylphenyl)13thiazol2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(5METHYL4(4METHYLPHENYL)13THIAZOL2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3C4CCC(C3C(=O)O)O4)C
InChI=1SC19H20N2O4Sc193511(649)1610(2)2619(2016)2117(22)14127813(2512)15(14)18(23)24h361215H78H212H3(H2324)(H202122)
MFCD03074297
ZINC000225588554
ZINC000239309894
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