Vitas-M small molecule compound
benzyl {[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK838424
SMILES C=CCn1c(SCC(=O)OCc2ccccc2)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 C19H20N4O4S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S/c1-4-10-23-15-16(21(2)19(26)22(3)17(15)25)20-18(23)28-12-14(24)27-11-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3InChIKey
GCCYDDSBAZSGKS-UHFFFAOYSA-NSynonyms
378207-02-4378207024
benzyl((13dimethyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)acetate
benzyl2((7allyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
BENZYL2(13DIMETHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLACETATE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC=C
InChI=1SC19H20N4O4Sc1410231516(21(2)19(26)22(3)17(15)25)2018(23)281214(24)2711138657913h49H11012H223H3
MFCD02227448
PHENYLMETHYL2(13DIMETHYL26DIOXO7PROP2ENYL137TRIHYDROPURIN8YLTHIO)ACETATE
ZINC000000624717
ZINC00624717
ZINC624717
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