Vitas-M small molecule compound

[1-(carboxymethyl)-5-methoxy-1H-indol-3-yl][4-(thiophen-2-ylmethyl)piperazin-1-yl]acetic acid

Catalog ID
STK936078
SMILES COc1ccc2c(c1)c(cn2CC(=O)O)C(N1CCN(CC1)Cc1cccs1)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 C22H25N3O5S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S/c1-30-15-4-5-19-17(11-15)18(13-25(19)14-20(26)27)21(22(28)29)24-8-6-23(7-9-24)12-16-3-2-10-31-16/h2-5,10-11,13,21H,6-9,12,14H2,1H3,(H,26,27)(H,28,29)
InChIKey
HWPUWIRFKSMVAL-UHFFFAOYSA-N
Synonyms
1214059-86-5
(1(carboxymethyl)5methoxy1Hindol3yl)(4(thiophen2ylmethyl)piperazin1yl)aceticacid
1214059865
2(1(carboxymethyl)5methoxy1Hindol3yl)2(4(thiophen2ylmethyl)piperazin1yl)aceticacid
2(1(carboxymethyl)5methoxyindol3yl)2(4(thiophen2ylmethyl)piperazin1yl)aceticacid
COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CS4)CC(=O)O
InChI=1SC22H25N3O5Sc13015451917(1115)18(1325(19)1420(26)27)21(22(28)29)248623(7924)121632103116h2510111321H691214H21H3(H2627)(H2829)
MFCD13756950
ZINC000036357237
ZINC000036357238

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Available files

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