Vitas-M small molecule compound

(3Z)-3-[(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STL443495
SMILES O=C1N(C)c2c(/C/1=C/c1cc(n(c1C)C1CCCC1)C)cc(cc2)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 C25H31N3O4S MW 469.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4S/c1-17-14-19(18(2)28(17)20-6-4-5-7-20)15-23-22-16-21(8-9-24(22)26(3)25(23)29)33(30,31)27-10-12-32-13-11-27/h8-9,14-16,20H,4-7,10-13H2,1-3H3/b23-15-
InChIKey
WCVVHKOBEZPPQZ-HAHDFKILSA-N
Synonyms

(3Z)3((1cyclopentyl25dimethyl1Hpyrrol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1CYCLOPENTYL25DIMETHYLPYRROL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CC1=CC(=C(N1C2CCCC2)C)C=C3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N(C3=O)C
InChI=1SC25H31N3O4Sc1171419(18(2)28(17)20645720)1523221621(8924(22)26(3)25(23)29)33(3031)27101232131127h89141620H471013H213H3b2315
MFCD07756512
O=C1N(C)c2c(C1=Cc1cc(n(c1C)C1CCCC1)C)cc(cc2)S(=O)(=O)N1CCOCC1
ZINC000016957255
ZINC16957255

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Available files

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