Vitas-M small molecule compound

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

Catalog ID
STK549621
SMILES CCCCCCn1c(SC(C(=O)OC)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 C16H24N4O4S MW 368.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O4S/c1-5-6-7-8-9-20-11-12(19(3)15(23)18-13(11)21)17-16(20)25-10(2)14(22)24-4/h10H,5-9H2,1-4H3,(H,18,21,23)
InChIKey
XBORGIKHKCTYLU-UHFFFAOYSA-N
Synonyms
476481-84-2
476481842
CCCCCCn1c(SC(C(=O)OC)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C
InChI=1SC16H24N4O4Sc156789201112(19(3)15(23)1813(11)21)1716(20)2510(2)14(22)244h10H59H214H3(H182123)
methyl2((7hexyl3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoate
methyl2((7hexyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoate
METHYL2(7HEXYL3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)PROPANOATE
METHYL2(7HEXYL3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOATE
MFCD03671828
ZINC000013374595
ZINC000013374597

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Available files

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