Vitas-M small molecule compound

2-{4-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-5-oxo-7-(thiophen-2-yl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-1-yl}benzoic acid

Catalog ID
STK335258
SMILES COc1cc(ccc1OCc1ccccc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(C)nn2c1ccccc1C(=O)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 C36H31N3O5S MW 617.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N3O5S/c1-21-32-33(23-14-15-29(30(19-23)43-2)44-20-22-9-4-3-5-10-22)34-26(17-24(18-28(34)40)31-13-8-16-45-31)37-35(32)39(38-21)27-12-7-6-11-25(27)36(41)42/h3-16,19,24,33,37H,17-18,20H2,1-2H3,(H,41,42)
InChIKey
YCMZMMLDUXLBBH-UHFFFAOYSA-N
Synonyms

2(4(4(benzyloxy)3methoxyphenyl)3methyl5oxo7(thiophen2yl)456789hexahydro1Hpyrazolo(34b)quinolin1yl)benzoicacid
MFCD09963882
ZINC000102052533
ZINC000102052550

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Available files

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