Vitas-M small molecule compound
2-{(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
Catalog ID
STK625628
SMILES OC[C@H](Cc1ccccc1)NC(=O)CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2
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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 C29H28FNO3S MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FNO3S/c1-19-26(15-21-8-11-24(12-9-21)35(2)34)25-13-10-22(30)16-28(25)27(19)17-29(33)31-23(18-32)14-20-6-4-3-5-7-20/h3-13,15-16,23,32H,14,17-18H2,1-2H3,(H,31,33)/b26-15+/t23-,35?/m0/s1InChIKey
XRELKWZRPOLXIU-OMBBWEFZSA-NSynonyms
957026-00-52((1E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)N((2S)1hydroxy3phenylpropan2yl)acetamide
2((3E)6fluoro2methyl3((4methylsulfinylphenyl)methylidene)inden1yl)N((2S)1hydroxy3phenylpropan2yl)acetamide
2((E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)N((S)1hydroxy3phenylpropan2yl)acetamide
957026005
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)NC(CC4=CC=CC=C4)CO
InChI=1SC29H28FNO3Sc11926(152181124(12921)35(2)34)25131022(30)1628(25)27(19)1729(33)3123(1832)14206435720h31315162332H141718H212H3(H3133)b2615+t2335?m0s1
MFCD09791257
OC(C@H)(Cc1ccccc1)NC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2
ZINC000101488282
ZINC000101488283
Check stock
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Check stock on Vitas-MAvailable files
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