Vitas-M small molecule compound
{[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Catalog ID
STK526988
SMILES OC(Cn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1
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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 C17H18N4O6S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O6S/c1-20-14-13(15(25)19-16(20)26)21(17(18-14)28-9-12(23)24)7-10(22)8-27-11-5-3-2-4-6-11/h2-6,10,22H,7-9H2,1H3,(H,23,24)(H,19,25,26)InChIKey
DZRRXMLTYXTHGA-UHFFFAOYSA-NSynonyms
316358-03-9((7(2hydroxy3phenoxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((7(2hydroxy3phenoxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(7(2HYDROXY3PHENOXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETICACID
316358039
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC(COC3=CC=CC=C3)O
InChI=1SC17H18N4O6Sc1201413(15(25)1916(20)26)21(17(1814)28912(23)24)710(22)827115324611h261022H79H21H3(H2324)(H192526)
MFCD00754438
OC(Cn1c(SCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1
ZINC000008934486
ZINC000008934487
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