Vitas-M small molecule compound
2-[4-(1H-imidazol-2-yl)-3-methyl-5-oxo-7-(thiophen-2-yl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-1-yl]benzoic acid
Catalog ID
STK335416
SMILES O=C1CC(CC2=C1C(c1[nH]ccn1)c1c(N2)n(nc1C)c1ccccc1C(=O)O)c1cccs1
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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 C25H21N5O3S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O3S/c1-13-20-22(23-26-8-9-27-23)21-16(11-14(12-18(21)31)19-7-4-10-34-19)28-24(20)30(29-13)17-6-3-2-5-15(17)25(32)33/h2-10,14,22,28H,11-12H2,1H3,(H,26,27)(H,32,33)InChIKey
KYSNMWFLIUPIHS-UHFFFAOYSA-NSynonyms
2(4(1Himidazol2yl)3methyl5oxo7(thiophen2yl)456789hexahydro1Hpyrazolo(34b)quinolin1yl)benzoicacid
MFCD09963977
O=C1CC(CC2=C1C(c1(nH)ccn1)c1c(N2)n(nc1C)c1ccccc1C(=O)O)c1cccs1
ZINC000018198896
ZINC000018198901
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