Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-methyl-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334934
SMILES O=C1C[C@H](CC2=C1[C@H](C)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 C15H15N3O2S MW 301.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O2S/c1-7-12-9(16-14-13(7)15(20)18-17-14)5-8(6-10(12)19)11-3-2-4-21-11/h2-4,7-8H,5-6H2,1H3,(H3,16,17,18,20)/t7-,8-/m0/s1InChIKey
IXRJBSUXUOLBPG-YUMQZZPRSA-NSynonyms
(4R7S)3hydroxy4methyl7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4methyl7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
CC1C2=C(CC(CC2=O)C3=CC=CS3)NC4=C1C(=O)NN4
InChI=1SC15H15N3O2Sc17129(161413(7)15(20)181714)58(610(12)19)113242111h2478H56H21H3(H316171820)t78m0s1
MFCD13368770
O=C1C(C@H)(CC2=C1(C@H)(C)c1c(N2)(nH)nc1O)c1cccs1
ZINC000018197832
ZINC18197832
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