Vitas-M small molecule compound
(3Z)-3-{[5-bromo-1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL441568
SMILES CCN1c2ccc(cc2/C(=C/c2cn(c3c2cc(Br)cc3)Cc2ccc(cc2)F)/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 C30H27BrFN3O4S MW 624.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrFN3O4S/c1-2-35-29-10-8-24(40(37,38)34-11-13-39-14-12-34)17-26(29)27(30(35)36)15-21-19-33(18-20-3-6-23(32)7-4-20)28-9-5-22(31)16-25(21)28/h3-10,15-17,19H,2,11-14,18H2,1H3/b27-15-InChIKey
LLPFWFIIDLGXOA-DICXZTSXSA-NSynonyms
(3Z)3((5BROMO1((4FLUOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)1ETHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
(3Z)3((5bromo1(4fluorobenzyl)1Hindol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=CN(C5=C4C=C(C=C5)Br)CC6=CC=C(C=C6)F)C1=O
CCN1c2ccc(cc2C(=Cc2cn(c3c2cc(Br)cc3)Cc2ccc(cc2)F)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC30H27BrFN3O4Sc12352910824(40(3738)34111339141234)1726(29)27(30(35)36)15211933(18203623(32)7420)289522(31)1625(21)28h310151719H2111418H21H3b2715
MFCD05133822
ZINC000008777637
ZINC8777637
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