Vitas-M small molecule compound
{4-[3-methyl-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
STK335547
SMILES OC(=O)COc1ccc(cc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(C)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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-12-20-21(13-4-6-15(7-5-13)30-11-19(28)29)22-16(24-23(20)26-25-12)9-14(10-17(22)27)18-3-2-8-31-18/h2-8,14,21H,9-11H2,1H3,(H,28,29)(H2,24,25,26)InChIKey
PGNQMTDTFXWNTR-UHFFFAOYSA-NSynonyms
(4(3methyl5oxo7(thiophen2yl)456789hexahydro1Hpyrazolo(34b)quinolin4yl)phenoxy)aceticacid
2(4(3methyl5oxo7thiophen2yl124678hexahydropyrazolo(34b)quinolin4yl)phenoxy)aceticacid
CC1=C2C(C3=C(CC(CC3=O)C4=CC=CS4)N=C2NN1)C5=CC=C(C=C5)OCC(=O)O
InChI=1SC23H21N3O4Sc1122021(134615(7513)301119(28)29)2216(2423(20)262512)914(1017(22)27)183283118h281421H911H21H3(H2829)(H2242526)
MFCD09964087
OC(=O)COc1ccc(cc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(C)n(nH)2
ZINC000018199364
ZINC000018199370
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