Vitas-M small molecule compound
[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl](5-methoxy-1H-indol-3-yl)acetic acid
Catalog ID
STL237642
SMILES COc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)C1CCS(=O)(=O)C1)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 C19H25N3O5S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O5S/c1-27-14-2-3-17-15(10-14)16(11-20-17)18(19(23)24)22-7-5-21(6-8-22)13-4-9-28(25,26)12-13/h2-3,10-11,13,18,20H,4-9,12H2,1H3,(H,23,24)InChIKey
CVOQQXZBZJLKIW-UHFFFAOYSA-NSynonyms
1081144-62-8(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)(5methoxy1Hindol3yl)aceticacid
1081144628
2(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)2(5methoxy1Hindol3yl)aceticacid
2(4(11dioxothiolan3yl)piperazin1yl)2(5methoxy1Hindol3yl)aceticacid
COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4CCS(=O)(=O)C4
COc1ccc2c(c1)c(c(nH)2)C(N1CCN(CC1)C1CCS(=O)(=O)C1)C(=O)O
InChI=1SC19H25N3O5Sc12714231715(1014)16(112017)18(19(23)24)227521(6822)134928(2526)1213h231011131820H4912H21H3(H2324)
MFCD12205329
ZINC000020715120
ZINC000020715132
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