Vitas-M small molecule compound
(3Z)-3-({5-bromo-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448666
SMILES CCN1c2ccc(cc2/C(=C/c2cn(c3c2cc(Br)cc3)CC(=O)N2CCCCC2C)/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 C31H35BrN4O5S MW 655.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35BrN4O5S/c1-3-35-29-10-8-24(42(39,40)34-12-14-41-15-13-34)18-26(29)27(31(35)38)16-22-19-33(28-9-7-23(32)17-25(22)28)20-30(37)36-11-5-4-6-21(36)2/h7-10,16-19,21H,3-6,11-15,20H2,1-2H3/b27-16-InChIKey
KOVRBGHKMVCNQC-YUMHPJSZSA-NSynonyms
(3Z)3((5bromo1(2(2methylpiperidin1yl)2oxoethyl)1Hindol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((5BROMO1(2(2METHYLPIPERIDIN1YL)2OXOETHYL)INDOL3YL)METHYLIDENE)1ETHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=CN(C5=C4C=C(C=C5)Br)CC(=O)N6CCCCC6C)C1=O
CCN1c2ccc(cc2C(=Cc2cn(c3c2cc(Br)cc3)CC(=O)N2CCCCC2C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC31H35BrN4O5Sc13352910824(42(3940)34121441151334)1826(29)27(31(35)38)16221933(289723(32)1725(22)28)2030(37)361154621(36)2h710161921H36111520H212H3b2716
MFCD05133665
ZINC000150350772
ZINC000150350773
Check stock
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Check stock on Vitas-MAvailable files
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