Vitas-M small molecule compound

2-[2-(octadecyloxy)phenyl]-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]isoquinoline-1,3(2H,4H)-dione

Catalog ID
STK367705
SMILES CCCCCCCCCCCCCCCCCCOc1ccccc1N1C(=O)C(Sc2nnnn2c2ccccc2)c2c(C1=O)cccc2

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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 C40H51N5O3S MW 681.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H51N5O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-31-48-36-30-23-22-29-35(36)44-38(46)34-28-21-20-27-33(34)37(39(44)47)49-40-41-42-43-45(40)32-25-18-17-19-26-32/h17-23,25-30,37H,2-16,24,31H2,1H3
InChIKey
ZYSWTYWXGJBAFY-UHFFFAOYSA-N
Synonyms

2(2(octadecyloxy)phenyl)4((1phenyl1Htetrazol5yl)sulfanyl)isoquinoline13(2H4H)dione
2(2OCTADECOXYPHENYL)4(1PHENYLTETRAZOL5YL)SULFANYL4HISOQUINOLINE13DIONE
CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1N2C(=O)C(C3=CC=CC=C3C2=O)SC4=NN=NN4C5=CC=CC=C5
InChI=1SC40H51N5O3Sc12345678910111213141516243148363023222935(36)4438(46)342821202733(34)37(39(44)47)494041424345(40)32251817192632h1723253037H2162431H21H3
MFCD00309026
ZINC000150391518
ZINC000150391521

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Available files

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