Vitas-M small molecule compound

[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]{6-[(2-methylpropanoyl)amino]-1H-indol-3-yl}acetic acid

Catalog ID
STK649519
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)C1CCS(=O)(=O)C1

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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 C22H30N4O5S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O5S/c1-14(2)21(27)24-15-3-4-17-18(12-23-19(17)11-15)20(22(28)29)26-8-6-25(7-9-26)16-5-10-32(30,31)13-16/h3-4,11-12,14,16,20,23H,5-10,13H2,1-2H3,(H,24,27)(H,28,29)
InChIKey
SFKFWWHNNYRRTM-UHFFFAOYSA-N
Synonyms
1214110-46-9
(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)(6((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214110469
2(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)2(6isobutyramido1Hindol3yl)aceticacid
2(4(11dioxothiolan3yl)piperazin1yl)2(6(2methylpropanoylamino)1Hindol3yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC22H30N4O5Sc114(2)21(27)2415341718(122319(17)1115)20(22(28)29)268625(7926)1651032(3031)1316h34111214162023H51013H212H3(H2427)(H2829)
MFCD13758078
OC(=O)C(c1c(nH)c2c1ccc(c2)NC(=O)C(C)C)N1CCN(CC1)C1CCS(=O)(=O)C1
ZINC000036358612
ZINC000036358615

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Available files

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