Vitas-M small molecule compound
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-{(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetamide
Catalog ID
STL008850
SMILES O=C(CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2)NCCc1ccc(c(c1)O)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 C28H26FNO4S MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FNO4S/c1-17-23(13-18-3-7-21(8-4-18)35(2)34)22-9-6-20(29)15-25(22)24(17)16-28(33)30-12-11-19-5-10-26(31)27(32)14-19/h3-10,13-15,31-32H,11-12,16H2,1-2H3,(H,30,33)/b23-13+InChIKey
NJLINUQQYUEHIO-YDZHTSKRSA-NSynonyms
1010864-82-0(E)N(34dihydroxyphenethyl)2(5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)acetamide
1010864820
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)O
InChI=1SC28H26FNO4Sc11723(13183721(8418)35(2)34)229620(29)1525(22)24(17)1628(33)3012111951026(31)27(32)1419h31013153132H111216H212H3(H3033)b2313+
MFCD09844369
N(2(34dihydroxyphenyl)ethyl)2((1E)5fluoro2methyl1(4(methylsulfinyl)benzylidene)1Hinden3yl)acetamide
N(2(34dihydroxyphenyl)ethyl)2((3E)6fluoro2methyl3((4methylsulfinylphenyl)methylidene)inden1yl)acetamide
O=C(CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2)NCCc1ccc(c(c1)O)O
ZINC000101468123
ZINC000101468125
Check stock
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