Vitas-M small molecule compound

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

Catalog ID
STK335412
SMILES COc1c(OC)cc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2cccc(c2)Oc2ccccc2)c(n[nH]1)O

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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/c1-37-24-15-19(16-25(38-2)29(24)39-3)18-13-22-27(23(35)14-18)26(28-30(32-22)33-34-31(28)36)17-8-7-11-21(12-17)40-20-9-5-4-6-10-20/h4-12,15-16,18,26H,13-14H2,1-3H3,(H3,32,33,34,36)/t18-,26-/m0/s1
InChIKey
PMIPIOMRBRASTP-QYBDOPJKSA-N
Synonyms

(4R7S)3hydroxy4(3phenoxyphenyl)7(345trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)4(3phenoxyphenyl)7(345trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(C4=C(N3)NNC4=O)C5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)C2
COc1c(OC)cc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2cccc(c2)Oc2ccccc2)c(n(nH)1)O
InChI=1SC31H29N3O6c137241519(1625(382)29(24)393)18132227(23(35)1418)26(2830(3222)333431(28)36)17871121(1217)402095461020h41215161826H1314H213H3(H332333436)t1826m0s1
MFCD13368815
ZINC000102053421
ZINC102053421

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Available files

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