Vitas-M small molecule compound
({7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
Catalog ID
STK528679
SMILES OC(Cn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl
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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 C17H17ClN4O6S MW 440.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O6S/c1-21-14-13(15(26)20-16(21)27)22(17(19-14)29-8-12(24)25)6-10(23)7-28-11-4-2-9(18)3-5-11/h2-5,10,23H,6-8H2,1H3,(H,24,25)(H,20,26,27)InChIKey
DCIPOXFVJUJCBF-UHFFFAOYSA-NSynonyms
328070-84-4((7(3(4chlorophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((7(3(4chlorophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETICACID
328070844
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC(COC3=CC=C(C=C3)Cl)O
InChI=1SC17H17ClN4O6Sc1211413(15(26)2016(21)27)22(17(1914)29812(24)25)610(23)72811429(18)3511h251023H68H21H3(H2425)(H202627)
MFCD00809899
OC(Cn1c(SCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Cl
ZINC000008934528
ZINC000008934529
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