Vitas-M small molecule compound
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-ethyl-6-hydroxypyrimidin-4(3H)-one
Catalog ID
STK989249
SMILES CCc1c(O)nc([nH]c1=O)SCC(=O)N1CCCCCC1
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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 C14H21N3O3S MW 311.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21N3O3S/c1-2-10-12(19)15-14(16-13(10)20)21-9-11(18)17-7-5-3-4-6-8-17/h2-9H2,1H3,(H2,15,16,19,20)InChIKey
DNQQBTFDTWJTMB-UHFFFAOYSA-NSynonyms
2((2(azepan1yl)2oxoethyl)sulfanyl)5ethyl6hydroxypyrimidin4(3H)one
2(2(AZEPAN1YL)2OXOETHYL)SULFANYL5ETHYL4HYDROXY1HPYRIMIDIN6ONE
2(2AZEPAN1YL2OXOETHYLSULFANYL)5ETHYL6HYDROXY3HPYRIMIDIN4ONE
CCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O
CCc1c(O)nc((nH)c1=O)SCC(=O)N1CCCCCC1
InChI=1SC14H21N3O3Sc121012(19)1514(1613(10)20)21911(18)1775346817h29H21H3(H215161920)
MFCD03724313
ZINC000005129426
ZINC5129426
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