Vitas-M small molecule compound

4-{5,6-dimethoxy-1-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-indol-2-yl}butan-2-one

Catalog ID
STK536062
SMILES COc1cc2c(cc1OC)c(c(n2S(=O)(=O)c1ccc(cc1)C)CCC(=O)C)c1ccccc1

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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 C27H27NO5S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO5S/c1-18-10-13-21(14-11-18)34(30,31)28-23(15-12-19(2)29)27(20-8-6-5-7-9-20)22-16-25(32-3)26(33-4)17-24(22)28/h5-11,13-14,16-17H,12,15H2,1-4H3
InChIKey
KECQTBUQLTUKJW-UHFFFAOYSA-N
Synonyms

309927660
4(1TOSYL3PHENYL56DIMETHOXY1HINDOLE2YL)2BUTANONE
4(56dimethoxy1((4methylphenyl)sulfonyl)3phenyl1Hindol2yl)butan2one
4(56DIMETHOXY1(4METHYLPHENYL)SULFONYL3PHENYLINDOL2YL)BUTAN2ONE
4(56dimethoxy3phenyl1tosyl1Hindol2yl)butan2one
CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC(=C(C=C3C(=C2CCC(=O)C)C4=CC=CC=C4)OC)OC
InChI=1SC27H27NO5Sc118101321(141118)34(3031)2823(151219(2)29)27(208657920)221625(323)26(334)1724(22)28h51113141617H1215H214H3
MFCD01952029
ZINC000002283774
ZINC02283774
ZINC2283774

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Available files

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