Vitas-M small molecule compound

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

Catalog ID
STK082048
SMILES CCCn1c(SCC(=O)OCC)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 C13H18N4O4S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O4S/c1-4-6-17-9-10(16(3)12(20)15-11(9)19)14-13(17)22-7-8(18)21-5-2/h4-7H2,1-3H3,(H,15,19,20)
InChIKey
XOSMFAIVHKAWGI-UHFFFAOYSA-N
Synonyms
328071-66-5
CCCn1c(SCC(=O)OCC)nc2c1c(=O)(nH)c(=O)n2C
CCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C
ethyl((3methyl26dioxo7propyl2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ETHYL((6HYDROXY3METHYL2OXO7PROPYL37DIHYDRO2HPURIN8YL)SULFANYL)ACETATE
ethyl2((3methyl26dioxo7propyl2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(3METHYL26DIOXO7PROPYL137TRIHYDROPURIN8YLTHIO)ACETATE
ETHYL2(3METHYL26DIOXO7PROPYLPURIN8YL)SULFANYLACETATE
InChI=1SC13H18N4O4Sc14617910(16(3)12(20)1511(9)19)1413(17)2278(18)2152h47H213H3(H151920)
MFCD01032105
STK082048
ZINC000000180703
ZINC00180703
ZINC180703

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Available files

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