Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK744059
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-4-7-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)31-11-15(26)21-12-5-6-13-14(10-12)30-9-8-29-13/h4-6,10H,1,7-9,11H2,2-3H3,(H,21,26)InChIKey
MACVJEXUZYQXDX-UHFFFAOYSA-NSynonyms
879477-49-32((7allyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
879477493
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)CC=C
InChI=1SC20H21N5O5Sc147251617(23(2)20(28)24(3)18(16)27)2219(25)311115(26)2112561314(1012)30982913h4610H17911H223H3(H2126)
MFCD06617871
N(23dihydro14benzodioxin6yl)2((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLACETAMIDE
ZINC000008972939
ZINC08972939
ZINC8972939
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