Vitas-M small molecule compound

(4S,7S)-7-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione

Catalog ID
STK335287
SMILES COc1ccc(cc1)[C@H]1C2=C(C[C@@H](CC2=O)c2ccc(c(c2)OC)OC)Nc2c1c(=O)n([nH]2)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 C31H29N3O5 MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O5/c1-37-22-12-9-18(10-13-22)27-28-23(32-30-29(27)31(36)34(33-30)21-7-5-4-6-8-21)15-20(16-24(28)35)19-11-14-25(38-2)26(17-19)39-3/h4-14,17,20,27,32-33H,15-16H2,1-3H3/t20-,27-/m0/s1
InChIKey
QNKHBWJSMRZWOV-DCFHFQCYSA-N
Synonyms

(4S7S)7(34dimethoxyphenyl)4(4methoxyphenyl)2phenyl146789hexahydropyrazolo(34b)quinoline35dione
(4S7S)7(34dimethoxyphenyl)4(4methoxyphenyl)2phenyl4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
COC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=C2C(=O)N(N5)C6=CC=CC=C6
COc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2ccc(c(c2)OC)OC)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC31H29N3O5c1372212918(101322)272823(323029(27)31(36)34(3330)217546821)1520(1624(28)35)19111425(382)26(1719)393h4141720273233H1516H213H3t2027m0s1
MFCD13368796
ZINC000098037067
ZINC98037067

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Available files

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