Vitas-M small molecule compound
(4R,7S)-3-hydroxy-7-(thiophen-2-yl)-4-(2,3,4-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333943
SMILES COc1ccc(c(c1OC)OC)[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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-29-15-7-6-12(20(30-2)21(15)31-3)17-18-13(24-22-19(17)23(28)26-25-22)9-11(10-14(18)27)16-5-4-8-32-16/h4-8,11,17H,9-10H2,1-3H3,(H3,24,25,26,28)/t11-,17-/m0/s1InChIKey
ABRXFCYMKFTGLJ-GTNSWQLSSA-NSynonyms
(4R7S)3hydroxy7(thiophen2yl)4(234trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7thiophen2yl4(234trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C(=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5)OC)OC
COc1ccc(c(c1OC)OC)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
InChI=1SC23H23N3O5Sc129157612(20(302)21(15)313)171813(242219(17)23(28)262522)911(1014(18)27)165483216h481117H910H213H3(H324252628)t1117m0s1
MFCD13368664
ZINC000018196523
ZINC18196523
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