Vitas-M small molecule compound
(3Z)-3-{[5-bromo-1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448612
SMILES Fc1ccc(cc1)Cn1cc(c2c1ccc(c2)Br)/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 C29H25BrFN3O4S MW 610.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrFN3O4S/c1-32-27-9-7-23(39(36,37)34-10-12-38-13-11-34)16-25(27)26(29(32)35)14-20-18-33(17-19-2-5-22(31)6-3-19)28-8-4-21(30)15-24(20)28/h2-9,14-16,18H,10-13,17H2,1H3/b26-14-InChIKey
RGZJSWMBIGYEOI-WGARJPEWSA-NSynonyms
(3Z)3((5BROMO1((4FLUOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
(3Z)3((5bromo1(4fluorobenzyl)1Hindol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
CN1C2=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
Fc1ccc(cc1)Cn1cc(c2c1ccc(c2)Br)C=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCOCC1)C
InChI=1SC29H25BrFN3O4Sc132279723(39(3637)34101238131134)1625(27)26(29(32)35)14201833(17192522(31)6319)288421(30)1524(20)28h29141618H101317H21H3b2614
MFCD05132871
ZINC000008777974
ZINC8777974
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