Vitas-M small molecule compound
(3E)-3-({2,5-dimethyl-1-[4-(morpholin-4-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448728
SMILES CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(cc2)N2CCOCC2)C)/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 C31H36N4O5S MW 576.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O5S/c1-4-34-30-10-9-27(41(37,38)33-13-17-40-18-14-33)21-28(30)29(31(34)36)20-24-19-22(2)35(23(24)3)26-7-5-25(6-8-26)32-11-15-39-16-12-32/h5-10,19-21H,4,11-18H2,1-3H3/b29-20+InChIKey
NPZPHBFJGJCUSQ-ZTKZIYFRSA-NSynonyms
(3E)3((25dimethyl1(4(morpholin4yl)phenyl)1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3E)3((25dimethyl1(4morpholin4ylphenyl)pyrrol3yl)methylidene)1ethyl5morpholin4ylsulfonylindol2one
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)N6CCOCC6)C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(cc2)N2CCOCC2)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC31H36N4O5Sc14343010927(41(3738)33131740181433)2128(30)29(31(34)36)20241922(2)35(23(24)3)267525(6826)32111539161232h5101921H41118H213H3b2920+
MFCD05133687
ZINC000101377494
ZINC101377494
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