Vitas-M small molecule compound
(5-bromo-1H-indol-3-yl)[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]acetic acid
Catalog ID
STL239652
SMILES OC(=O)C(c1c[nH]c2c1cc(Br)cc2)N1CCN(CC1)C1CCS(=O)(=O)C1
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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 C18H22BrN3O4S MW 456.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22BrN3O4S/c19-12-1-2-16-14(9-12)15(10-20-16)17(18(23)24)22-6-4-21(5-7-22)13-3-8-27(25,26)11-13/h1-2,9-10,13,17,20H,3-8,11H2,(H,23,24)InChIKey
YVRSBIIDBLHHKE-UHFFFAOYSA-NSynonyms
1081114-35-3(5bromo1Hindol3yl)(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)aceticacid
1081114353
2(5bromo1Hindol3yl)2(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)aceticacid
2(5bromo1Hindol3yl)2(4(11dioxothiolan3yl)piperazin1yl)aceticacid
C1CS(=O)(=O)CC1N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O
InChI=1SC18H22BrN3O4Sc1912121614(912)15(102016)17(18(23)24)226421(5722)133827(2526)1113h12910131720H3811H2(H2324)
MFCD12208086
OC(=O)C(c1c(nH)c2c1cc(Br)cc2)N1CCN(CC1)C1CCS(=O)(=O)C1
ZINC000020731333
ZINC000020731343
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