Vitas-M small molecule compound

(4R,7S)-4-[4-(benzyloxy)-3-methoxyphenyl]-7-(3,4-dimethoxyphenyl)-3-hydroxy-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one

Catalog ID
STK334845
SMILES COc1cc(ccc1OCc1ccccc1)[C@H]1C2=C(C[C@@H](CC2=O)c2ccc(c(c2)OC)OC)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 C32H31N3O6 MW 553.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O6/c1-38-24-11-9-19(15-26(24)39-2)21-13-22-29(23(36)14-21)28(30-31(33-22)34-35-32(30)37)20-10-12-25(27(16-20)40-3)41-17-18-7-5-4-6-8-18/h4-12,15-16,21,28H,13-14,17H2,1-3H3,(H3,33,34,35,37)/t21-,28-/m0/s1
InChIKey
BADBAMSUBAJMQQ-KMRXNPHXSA-N
Synonyms

(4R7S)4(4(benzyloxy)3methoxyphenyl)7(34dimethoxyphenyl)3hydroxy146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(3methoxy4phenylmethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)C(=O)C2)OC
COc1cc(ccc1OCc1ccccc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2ccc(c(c2)OC)OC)Nc2c1c(O)n(nH)2
InChI=1SC32H31N3O6c1382411919(1526(24)392)21132229(23(36)1421)28(3031(3322)343532(30)37)20101225(27(1620)403)4117187546818h41215162128H131417H213H3(H333343537)t2128m0s1
MFCD13368764
ZINC000102051051
ZINC102051051

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.