Vitas-M small molecule compound

ethyl 2-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate

Catalog ID
STK037235
SMILES CCCn1c(SC(C(=O)OCC)C)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 C14H20N4O4S MW 340.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4O4S/c1-5-7-18-9-10(17(4)13(21)16-11(9)19)15-14(18)23-8(3)12(20)22-6-2/h8H,5-7H2,1-4H3,(H,16,19,21)
InChIKey
RAQYXUDUCURENB-UHFFFAOYSA-N
Synonyms
189150-26-3
189150263
CCCn1c(SC(C(=O)OCC)C)nc2c1c(=O)(nH)c(=O)n2C
CCCN1C2=C(N=C1SC(C)C(=O)OCC)N(C(=O)NC2=O)C
ethyl2((3methyl26dioxo7propyl2367tetrahydro1Hpurin8yl)sulfanyl)propanoate
ethyl2((3methyl26dioxo7propyl2367tetrahydro1Hpurin8yl)thio)propanoate
ETHYL2((6HYDROXY3METHYL2OXO7PROPYL37DIHYDRO2HPURIN8YL)SULFANYL)PROPANOATE
ETHYL2(3METHYL26DIOXO7PROPYL137TRIHYDROPURIN8YLTHIO)PROPANOATE
ETHYL2(3METHYL26DIOXO7PROPYLPURIN8YL)SULFANYLPROPANOATE
InChI=1SC14H20N4O4Sc15718910(17(4)13(21)1611(9)19)1514(18)238(3)12(20)2262h8H57H214H3(H161921)
MFCD00510585
STK037235

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.