Vitas-M small molecule compound
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl](5-methoxy-1H-indol-3-yl)acetic acid
Catalog ID
STL235634
SMILES COc1ccc2c(c1)c(c[nH]2)C(N1CCCC(C1)c1nc2c(s1)cccc2)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 C23H23N3O3S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S/c1-29-15-8-9-18-16(11-15)17(12-24-18)21(23(27)28)26-10-4-5-14(13-26)22-25-19-6-2-3-7-20(19)30-22/h2-3,6-9,11-12,14,21,24H,4-5,10,13H2,1H3,(H,27,28)InChIKey
HHZZVUFEYUXDOR-UHFFFAOYSA-NSynonyms
1081117-47-6(3(13benzothiazol2yl)piperidin1yl)(5methoxy1Hindol3yl)aceticacid
1081117476
2(3(13benzothiazol2yl)piperidin1yl)2(5methoxy1Hindol3yl)aceticacid
2(3(benzo(d)thiazol2yl)piperidin1yl)2(5methoxy1Hindol3yl)aceticacid
COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCCC(C3)C4=NC5=CC=CC=C5S4
COc1ccc2c(c1)c(c(nH)2)C(N1CCCC(C1)c1nc2c(s1)cccc2)C(=O)O
InChI=1SC23H23N3O3Sc12915891816(1115)17(122418)21(23(27)28)26104514(1326)222519623720(19)3022h23691112142124H451013H21H3(H2728)
MFCD12210523
ZINC000020745798
ZINC000035107765
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