Vitas-M small molecule compound
(4S,7S)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK335268
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(c(c2)OC)O)c(=O)n([nH]1)c1ccccc1
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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 C31H29N3O6 MW 539.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O6/c1-38-24-12-10-17(15-26(24)40-3)19-13-21-28(23(36)14-19)27(18-9-11-22(35)25(16-18)39-2)29-30(32-21)33-34(31(29)37)20-7-5-4-6-8-20/h4-12,15-16,19,27,32-33,35H,13-14H2,1-3H3/t19-,27-/m0/s1InChIKey
XNAXJMSWLTYVPO-PPHZAIPVSA-NSynonyms
(4S7S)7(34dimethoxyphenyl)4(4hydroxy3methoxyphenyl)2phenyl146789hexahydropyrazolo(34b)quinoline35dione
(4S7S)7(34dimethoxyphenyl)4(4hydroxy3methoxyphenyl)2phenyl4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NN(C4=O)C5=CC=CC=C5)C6=CC(=C(C=C6)O)OC)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(c(c2)OC)O)c(=O)n((nH)1)c1ccccc1
InChI=1SC31H29N3O6c13824121017(1526(24)403)19132128(23(36)1419)27(1891122(35)25(1618)392)2930(3221)3334(31(29)37)207546820h41215161927323335H1314H213H3t1927m0s1
MFCD13368783
ZINC000102052614
ZINC102052614
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.