Vitas-M small molecule compound

{4-[(4-ethoxyphenyl)sulfonyl]piperazin-1-yl}(2-methyl-1H-indol-3-yl)acetic acid

Catalog ID
STK660714
SMILES CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1c(C)[nH]c2c1cccc2)C(=O)O

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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 C23H27N3O5S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5S/c1-3-31-17-8-10-18(11-9-17)32(29,30)26-14-12-25(13-15-26)22(23(27)28)21-16(2)24-20-7-5-4-6-19(20)21/h4-11,22,24H,3,12-15H2,1-2H3,(H,27,28)
InChIKey
IBDJSUMBGNTHQU-UHFFFAOYSA-N
Synonyms
1144448-13-4
(4((4ethoxyphenyl)sulfonyl)piperazin1yl)(2methyl1Hindol3yl)aceticacid
1144448134
2(4((4ethoxyphenyl)sulfonyl)piperazin1yl)2(2methyl1Hindol3yl)aceticacid
2(4(4ethoxyphenyl)sulfonylpiperazin1yl)2(2methyl1Hindol3yl)aceticacid
CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=C(NC4=CC=CC=C43)C)C(=O)O
CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1c(C)(nH)c2c1cccc2)C(=O)O
InChI=1SC23H27N3O5Sc13311781018(11917)32(2930)26141225(131526)22(23(27)28)2116(2)2420754619(20)21h4112224H31215H212H3(H2728)
MFCD12215690
ZINC000032096361
ZINC000032096363

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.