Vitas-M small molecule compound
3-hydroxy-1-methyl-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-6-(thiomorpholin-4-ylmethyl)pyridin-4(1H)-one
Catalog ID
STL311908
SMILES O=c1cc(CN2CCSCC2)n(c(c1O)CN1CCN(CC1)c1ccccn1)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 C21H29N5O2S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O2S/c1-23-17(15-25-10-12-29-13-11-25)14-19(27)21(28)18(23)16-24-6-8-26(9-7-24)20-4-2-3-5-22-20/h2-5,14,28H,6-13,15-16H2,1H3InChIKey
XBUMVMNSAOPFQN-UHFFFAOYSA-NSynonyms
1401566-45-71401566457
3hydroxy1methyl2((4(pyridin2yl)piperazin1yl)methyl)6(thiomorpholin4ylmethyl)pyridin4(1H)one
3hydroxy1methyl2((4(pyridin2yl)piperazin1yl)methyl)6(thiomorpholinomethyl)pyridin4(1H)one
3hydroxy1methyl2((4pyridin2ylpiperazin1yl)methyl)6(thiomorpholin4ylmethyl)pyridin4one
CN1C(=CC(=O)C(=C1CN2CCN(CC2)C3=CC=CC=N3)O)CN4CCSCC4
InChI=1SC21H29N5O2Sc12317(1525101229131125)1419(27)21(28)18(23)16246826(9724)2042352220h251428H6131516H21H3
MFCD22585712
ZINC000079494589
ZINC79494589
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