Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide
Catalog ID
STK497266
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2c(n1c1ccc(cc1)C)nc[nH]c2=O
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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 C22H19N5O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4S/c1-13-2-5-15(6-3-13)27-20-19(21(29)24-12-23-20)26-22(27)32-11-18(28)25-14-4-7-16-17(10-14)31-9-8-30-16/h2-7,10,12H,8-9,11H2,1H3,(H,25,28)(H,23,24,29)InChIKey
ACJJRLCUUOTOMX-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5
InChI=1SC22H19N5O4Sc1132515(6313)272019(21(29)24122320)2622(27)321118(28)2514471617(1014)31983016h271012H8911H21H3(H2528)(H232429)
MFCD11854697
N(23dihydro14benzodioxin6yl)2((9(4methylphenyl)6oxo3Hpurin8yl)sulfanyl)acetamide
N(23dihydro14benzodioxin6yl)2((9(4methylphenyl)6oxo69dihydro1Hpurin8yl)sulfanyl)acetamide
O=C(Nc1ccc2c(c1)OCCO2)CSc1nc2c(n1c1ccc(cc1)C)nc(nH)c2=O
ZINC000020394342
ZINC20394342
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