Vitas-M small molecule compound

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

Catalog ID
STK938843
SMILES OC(=O)C(c1c[nH]c2c1cc(cc2)NC(=O)c1ccccc1)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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-32(30,31)26-11-9-25(10-12-26)20(22(28)29)18-14-23-19-8-7-16(13-17(18)19)24-21(27)15-5-3-2-4-6-15/h2-8,13-14,20,23H,9-12H2,1H3,(H,24,27)(H,28,29)
InChIKey
YFYKRZYROMTCFX-UHFFFAOYSA-N
Synonyms
1214840-31-9
(4(methylsulfonyl)piperazin1yl)(5((phenylcarbonyl)amino)1Hindol3yl)aceticacid
1214840319
2(5benzamido1Hindol3yl)2(4(methylsulfonyl)piperazin1yl)aceticacid
2(5benzamido1Hindol3yl)2(4methylsulfonylpiperazin1yl)aceticacid
CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O
InChI=1SC22H24N4O5Sc132(3031)2611925(101226)20(22(28)29)181423198716(1317(18)19)2421(27)155324615h2813142023H912H21H3(H2427)(H2829)
MFCD13756855
OC(=O)C(c1c(nH)c2c1cc(cc2)NC(=O)c1ccccc1)N1CCN(CC1)S(=O)(=O)C
ZINC000036357121
ZINC000036357122

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Available files

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