Vitas-M small molecule compound
(4R,7S)-3-hydroxy-7-(thiophen-2-yl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333942
SMILES COc1cc(OC)c(cc1[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2)OC
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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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-29-15-10-17(31-3)16(30-2)9-12(15)19-20-13(24-22-21(19)23(28)26-25-22)7-11(8-14(20)27)18-5-4-6-32-18/h4-6,9-11,19H,7-8H2,1-3H3,(H3,24,25,26,28)/t11-,19-/m0/s1InChIKey
BOUZHYWDRPKPCS-WLRWDXFRSA-NSynonyms
(4R7S)3hydroxy7(thiophen2yl)4(245trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7thiophen2yl4(245trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=C(C=C1C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5)OC)OC
COc1cc(OC)c(cc1(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2)OC
InChI=1SC23H23N3O5Sc129151017(313)16(302)912(15)192013(242221(19)23(28)262522)711(814(20)27)185463218h4691119H78H213H3(H324252628)t1119m0s1
MFCD13368663
ZINC000018196521
ZINC18196521
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