Vitas-M small molecule compound
(4S,7S)-2-phenyl-4-(pyridin-3-yl)-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334086
SMILES O=C1C[C@H](CC2=C1[C@H](c1cccnc1)c1c(N2)[nH]n(c1=O)c1ccccc1)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 C25H20N4O2S MW 440.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O2S/c30-19-13-16(20-9-5-11-32-20)12-18-22(19)21(15-6-4-10-26-14-15)23-24(27-18)28-29(25(23)31)17-7-2-1-3-8-17/h1-11,14,16,21,27-28H,12-13H2/t16-,21-/m0/s1InChIKey
XMWGMWBAHLJWKB-KKSFZXQISA-NSynonyms
(4S7S)2phenyl4(pyridin3yl)7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)2phenyl4pyridin3yl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CN=CC=C4)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CS6
InChI=1SC25H20N4O2Sc30191316(2095113220)121822(19)21(156410261415)2324(2718)2829(25(23)31)177213817h1111416212728H1213H2t1621m0s1
MFCD13368675
O=C1C(C@H)(CC2=C1(C@H)(c1cccnc1)c1c(N2)(nH)n(c1=O)c1ccccc1)c1cccs1
ZINC000018196875
ZINC18196875
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