Vitas-M small molecule compound
(3Z)-3-{[1-(2-chloro-6-fluorobenzyl)-1H-indol-3-yl]methylidene}-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL441544
SMILES CN1c2ccc(cc2/C(=C/c2cn(c3c2cccc3)Cc2c(F)cccc2Cl)/C1=O)S(=O)(=O)N1CCOCC1
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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 C29H25ClFN3O4S MW 566.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClFN3O4S/c1-32-27-10-9-20(39(36,37)34-11-13-38-14-12-34)16-22(27)23(29(32)35)15-19-17-33(28-8-3-2-5-21(19)28)18-24-25(30)6-4-7-26(24)31/h2-10,15-17H,11-14,18H2,1H3/b23-15-InChIKey
CUEABDIUQHKVLK-HAHDFKILSA-NSynonyms
(3Z)3((1((2CHLORO6FLUOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
(3Z)3((1(2chloro6fluorobenzyl)1Hindol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=CN(C5=CC=CC=C54)CC6=C(C=CC=C6Cl)F)C1=O
CN1c2ccc(cc2C(=Cc2cn(c3c2cccc3)Cc2c(F)cccc2Cl)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC29H25ClFN3O4Sc1322710920(39(3637)34111338141234)1622(27)23(29(32)35)15191733(28832521(19)28)182425(30)64726(24)31h2101517H111418H21H3b2315
MFCD05132646
ZINC000008777581
ZINC8777581
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