Vitas-M small molecule compound
(3Z)-3-{[1-(4-bromo-3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL441598
SMILES CN1c2ccc(cc2/C(=C/c2cc(n(c2C)c2cc(C)c(c(c2)C)Br)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 C28H30BrN3O4S MW 584.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrN3O4S/c1-17-12-22(13-18(2)27(17)29)32-19(3)14-21(20(32)4)15-25-24-16-23(6-7-26(24)30(5)28(25)33)37(34,35)31-8-10-36-11-9-31/h6-7,12-16H,8-11H2,1-5H3/b25-15-InChIKey
DIVCUUPPTYCFOU-MYYYXRDXSA-NSynonyms
(3Z)3((1(4bromo35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(4BROMO35DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CC1=CC(=CC(=C1Br)C)N2C(=CC(=C2C)C=C3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N(C3=O)C)C
CN1c2ccc(cc2C(=Cc2cc(n(c2C)c2cc(C)c(c(c2)C)Br)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC28H30BrN3O4Sc1171222(1318(2)27(17)29)3219(3)1421(20(32)4)1525241623(6726(24)30(5)28(25)33)37(3435)318103611931h671216H811H215H3b2515
MFCD07773982
ZINC000008777693
ZINC8777693
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