Vitas-M small molecule compound
N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK778169
SMILES COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)Nc1cccc(c1)F
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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 C28H25FN2O4S MW 504.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN2O4S/c1-15-25(28(34)31-19-6-3-5-18(29)14-19)26(16-8-9-21(32)23(13-16)35-2)27-20(30-15)11-17(12-22(27)33)24-7-4-10-36-24/h3-10,13-14,17,26,30,32H,11-12H2,1-2H3,(H,31,34)InChIKey
OEHQGUJVKCXWJR-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)NC5=CC(=CC=C5)F
InChI=1SC28H25FN2O4Sc11525(28(34)311963518(29)1419)26(168921(32)23(1316)352)2720(3015)1117(1222(27)33)2474103624h310131417263032H1112H212H3(H3134)
MFCD05855876
N(3fluorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxamide
N(3fluorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxamide
ZINC000001426919
ZINC000012416295
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