Vitas-M small molecule compound
ethyl 2-[(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]butanoate
Catalog ID
STK013240
SMILES CCCCCCCn1c(SC(C(=O)OCC)CC)nc2c1c(=O)[nH]c(=O)n2C
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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 C19H30N4O4S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H30N4O4S/c1-5-8-9-10-11-12-23-14-15(22(4)18(26)21-16(14)24)20-19(23)28-13(6-2)17(25)27-7-3/h13H,5-12H2,1-4H3,(H,21,24,26)InChIKey
DFSOIBHXTUJZBT-UHFFFAOYSA-NSynonyms
303969-18-8303969188
CCCCCCCn1c(SC(C(=O)OCC)CC)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C
ethyl2((7heptyl3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)butanoate
ethyl2((7heptyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)butanoate
ETHYL2(7HEPTYL3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)BUTANOATE
ETHYL2(7HEPTYL3METHYL26DIOXOPURIN8YL)SULFANYLBUTANOATE
InChI=1SC19H30N4O4Sc1589101112231415(22(4)18(26)2116(14)24)2019(23)2813(62)17(25)2773h13H512H214H3(H212426)
MFCD01185931
STK013240
ZINC000002306161
ZINC000002306162
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