Vitas-M small molecule compound
(4R,7S)-3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333921
SMILES COc1cc(ccc1O)[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-28-15-9-10(4-5-13(15)25)17-18-12(22-20-19(17)21(27)24-23-20)7-11(8-14(18)26)16-3-2-6-29-16/h2-6,9,11,17,25H,7-8H2,1H3,(H3,22,23,24,27)/t11-,17-/m0/s1InChIKey
XFPFBUAMBRKZIS-GTNSWQLSSA-NSynonyms
(4R7S)3hydroxy4(4hydroxy3methoxyphenyl)7(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(4hydroxy3methoxyphenyl)7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5)O
COc1cc(ccc1O)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
InChI=1SC21H19N3O4Sc12815910(4513(15)25)171812(222019(17)21(27)242320)711(814(18)26)163262916h269111725H78H21H3(H322232427)t1117m0s1
MFCD13368657
ZINC000018196497
ZINC18196497
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