Vitas-M small molecule compound
3-({7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
Catalog ID
STK528169
SMILES OC(Cn1c(SCCC(=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 C18H19ClN4O6S MW 454.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O6S/c1-22-15-14(16(27)21-17(22)28)23(18(20-15)30-7-6-13(25)26)8-11(24)9-29-12-4-2-10(19)3-5-12/h2-5,11,24H,6-9H2,1H3,(H,25,26)(H,21,27,28)InChIKey
MLKGJCTWHIGYCC-UHFFFAOYSA-NSynonyms
352640-41-63((7(3(4chlorophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7(3(4chlorophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
352640416
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CC(COC3=CC=C(C=C3)Cl)O
InChI=1SC18H19ClN4O6Sc1221514(16(27)2117(22)28)23(18(2015)307613(25)26)811(24)929124210(19)3512h251124H69H21H3(H2526)(H212728)
MFCD00754455
OC(Cn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Cl
ZINC000008934469
ZINC000008934470
Check stock
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