Vitas-M small molecule compound
2-{(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}-N-[2-(4-hydroxyphenyl)ethyl]acetamide
Catalog ID
STK622949
SMILES O=C(CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2)NCCc1ccc(cc1)O
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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 C28H26FNO3S MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FNO3S/c1-18-25(15-20-5-10-23(11-6-20)34(2)33)24-12-7-21(29)16-27(24)26(18)17-28(32)30-14-13-19-3-8-22(31)9-4-19/h3-12,15-16,31H,13-14,17H2,1-2H3,(H,30,32)/b25-15+InChIKey
AORQSQHWNJARJU-MFKUBSTISA-NSynonyms
956923-00-5(E)2(5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)N(4hydroxyphenethyl)acetamide
2((1E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)N(2(4hydroxyphenyl)ethyl)acetamide
2((3E)6fluoro2methyl3((4methylsulfinylphenyl)methylidene)inden1yl)N(2(4hydroxyphenyl)ethyl)acetamide
956923005
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)NCCC4=CC=C(C=C4)O
InChI=1SC28H26FNO3Sc11825(152051023(11620)34(2)33)2412721(29)1627(24)26(18)1728(32)301413193822(31)9419h312151631H131417H212H3(H3032)b2515+
MFCD08750765
O=C(CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2)NCCc1ccc(cc1)O
ZINC000101464895
ZINC000101464899
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