Vitas-M small molecule compound
{4-[(4R,7S)-3-hydroxy-5-oxo-7-(thiophen-2-yl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-4-yl]phenoxy}acetic acid
Catalog ID
STK333842
SMILES OC(=O)COc1ccc(cc1)[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2
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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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c26-15-9-12(16-2-1-7-31-16)8-14-19(15)18(20-21(23-14)24-25-22(20)29)11-3-5-13(6-4-11)30-10-17(27)28/h1-7,12,18H,8-10H2,(H,27,28)(H3,23,24,25,29)/t12-,18-/m0/s1InChIKey
PAQNOBCKTTZXQQ-SGTLLEGYSA-NSynonyms
1134770-31-2(4((4R7S)3hydroxy5oxo7(thiophen2yl)456789hexahydro1Hpyrazolo(34b)quinolin4yl)phenoxy)aceticacid
1134770312
2(4((4S7S)35dioxo7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinolin4yl)phenoxy)aceticacid
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)OCC(=O)O)C(=O)NN3)C5=CC=CS5
InChI=1SC22H19N3O5Sc2615912(162173116)81419(15)18(2021(2314)242522(20)29)113513(6411)301017(27)28h171218H810H2(H2728)(H323242529)t1218m0s1
MFCD13368619
OC(=O)COc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
ZINC000101123423
ZINC101123423
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