Vitas-M small molecule compound

3-({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid

Catalog ID
STL357329
SMILES OC(Cn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)COc1cccc2c1cccc2

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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 C22H22N4O6S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O6S/c1-25-19-18(20(30)24-21(25)31)26(22(23-19)33-10-9-17(28)29)11-14(27)12-32-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,27H,9-12H2,1H3,(H,28,29)(H,24,30,31)
InChIKey
KXFYMHFFDFYYLP-UHFFFAOYSA-N
Synonyms
328072-08-8
3((7(2hydroxy3(naphthalen1yloxy)propyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7(2hydroxy3(naphthalen1yloxy)propyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(7(2HYDROXY3NAPHTHALEN1YLOXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
328072088
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CC(COC3=CC=CC4=CC=CC=C43)O
InChI=1SC22H22N4O6Sc1251918(20(30)2421(25)31)26(22(2319)3310917(28)29)1114(27)12321684613523715(13)16h281427H912H21H3(H2829)(H243031)
MFCD01142803
OC(Cn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C)COc1cccc2c1cccc2
ZINC000002217325
ZINC000002217326

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Available files

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