Vitas-M small molecule compound
(4R,7S)-4-[4-(benzyloxy)phenyl]-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333919
SMILES O=C1C[C@H](CC2=C1[C@H](c1ccc(cc1)OCc1ccccc1)c1c(N2)[nH]nc1O)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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c31-21-14-18(22-7-4-12-34-22)13-20-24(21)23(25-26(28-20)29-30-27(25)32)17-8-10-19(11-9-17)33-15-16-5-2-1-3-6-16/h1-12,18,23H,13-15H2,(H3,28,29,30,32)/t18-,23-/m0/s1InChIKey
MYIHSRLIVOHJKS-MBSDFSHPSA-NSynonyms
(4R7S)4(4(benzyloxy)phenyl)3hydroxy7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4phenylmethoxyphenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)NN3)C6=CC=CS6
InChI=1SC27H23N3O3Sc31211418(2274123422)132024(21)23(2526(2820)293027(25)32)1781019(11917)3315165213616h1121823H1315H2(H328293032)t1823m0s1
MFCD13368655
O=C1C(C@H)(CC2=C1(C@H)(c1ccc(cc1)OCc1ccccc1)c1c(N2)(nH)nc1O)c1cccs1
ZINC000012349309
ZINC12349309
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