Vitas-M small molecule compound

{5-[(2-methylpropanoyl)amino]-1H-indol-3-yl}[4-(methylsulfonyl)piperazin-1-yl]acetic acid

Catalog ID
STK941870
SMILES OC(=O)C(c1c[nH]c2c1cc(cc2)NC(=O)C(C)C)N1CCN(CC1)S(=O)(=O)C

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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 C19H26N4O5S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O5S/c1-12(2)18(24)21-13-4-5-16-14(10-13)15(11-20-16)17(19(25)26)22-6-8-23(9-7-22)29(3,27)28/h4-5,10-12,17,20H,6-9H2,1-3H3,(H,21,24)(H,25,26)
InChIKey
JRJRWFFXYJSQIZ-UHFFFAOYSA-N
Synonyms
1214671-37-0
(5((2methylpropanoyl)amino)1Hindol3yl)(4(methylsulfonyl)piperazin1yl)aceticacid
1214671370
2(5(2methylpropanoylamino)1Hindol3yl)2(4methylsulfonylpiperazin1yl)aceticacid
2(5isobutyramido1Hindol3yl)2(4(methylsulfonyl)piperazin1yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C
InChI=1SC19H26N4O5Sc112(2)18(24)2113451614(1013)15(112016)17(19(25)26)226823(9722)29(327)28h4510121720H69H213H3(H2124)(H2526)
MFCD13756469
OC(=O)C(c1c(nH)c2c1cc(cc2)NC(=O)C(C)C)N1CCN(CC1)S(=O)(=O)C
ZINC000036354830
ZINC000036354831

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Available files

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