Vitas-M small molecule compound
(4S,7S)-4-methyl-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334935
SMILES O=C1C[C@H](CC2=C1[C@H](C)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 C21H19N3O2S MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2S/c1-12-18-15(10-13(11-16(18)25)17-8-5-9-27-17)22-20-19(12)21(26)24(23-20)14-6-3-2-4-7-14/h2-9,12-13,22-23H,10-11H2,1H3/t12-,13-/m0/s1InChIKey
JWQSGGTTYCELGG-STQMWFEESA-NSynonyms
(4S7S)4methyl2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4methyl2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
CC1C2=C(CC(CC2=O)C3=CC=CS3)NC4=C1C(=O)N(N4)C5=CC=CC=C5
InChI=1SC21H19N3O2Sc1121815(1013(1116(18)25)178592717)222019(12)21(26)24(2320)146324714h2912132223H1011H21H3t1213m0s1
MFCD13368771
O=C1C(C@H)(CC2=C1(C@H)(C)c1c(N2)(nH)n(c1=O)c1ccccc1)c1cccs1
ZINC000018197834
ZINC18197834
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