Vitas-M small molecule compound
5-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}pentanenitrile
Catalog ID
STK869155
SMILES C=CCn1c(SCCCCC#N)nc2c1c(=O)n(c(=O)n2C)C
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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 C15H19N5O2S MW 333.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N5O2S/c1-4-9-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-7-5-6-8-16/h4H,1,5-7,9-10H2,2-3H3InChIKey
OKFUQXZGGPCEQF-UHFFFAOYSA-NSynonyms
878431-79-95((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)pentanenitrile
5((7allyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)pentanenitrile
5(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLPENTANENITRILE
878431799
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCCC#N)CC=C
InChI=1SC15H19N5O2Sc149201112(18(2)15(22)19(3)13(11)21)1714(20)2310756816h4H157910H223H3
MFCD07396194
ZINC000004386645
ZINC04386645
ZINC4386645
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