Vitas-M small molecule compound
(3Z)-3-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL441584
SMILES Brc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCOCC1)C
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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 C26H26BrN3O4S MW 556.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN3O4S/c1-17-14-19(18(2)30(17)21-6-4-20(27)5-7-21)15-24-23-16-22(8-9-25(23)28(3)26(24)31)35(32,33)29-10-12-34-13-11-29/h4-9,14-16H,10-13H2,1-3H3/b24-15-InChIKey
XXBFNKNIUPBFSC-IWIPYMOSSA-NSynonyms
(3Z)3((1(4bromophenyl)25dimethyl1Hpyrrol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
Brc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCOCC1)C
CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N(C3=O)C
InChI=1SC26H26BrN3O4Sc1171419(18(2)30(17)216420(27)5721)1524231622(8925(23)28(3)26(24)31)35(3233)29101234131129h491416H1013H213H3b2415
MFCD07773971
ZINC000008777670
ZINC8777670
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