Vitas-M small molecule compound

{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}(5-methoxy-1H-indol-3-yl)acetic acid

Catalog ID
STK654495
SMILES COc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)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 C28H28ClN3O3 MW 490.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O3/c1-35-22-11-12-25-23(17-22)24(18-30-25)27(28(33)34)32-15-13-31(14-16-32)26(19-5-3-2-4-6-19)20-7-9-21(29)10-8-20/h2-12,17-18,26-27,30H,13-16H2,1H3,(H,33,34)
InChIKey
LTLIQOYEINBNDP-UHFFFAOYSA-N
Synonyms
1144485-76-6
(4((4chlorophenyl)(phenyl)methyl)piperazin1yl)(5methoxy1Hindol3yl)aceticacid
1144485766
2(4((4chlorophenyl)(phenyl)methyl)piperazin1yl)2(5methoxy1Hindol3yl)aceticacid
2(4((4chlorophenyl)phenylmethyl)piperazin1yl)2(5methoxy1Hindol3yl)aceticacid
COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl
COc1ccc2c(c1)c(c(nH)2)C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)C(=O)O
InChI=1SC28H28ClN3O3c1352211122523(1722)24(183025)27(28(33)34)32151331(141632)26(195324619)207921(29)10820h2121718262730H1316H21H3(H3334)
MFCD12211167
ZINC000032071069
ZINC000032071080

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Available files

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