Vitas-M small molecule compound
octyl [(3-cyano-6,7-dihydropyrrolo[1,2-a]pyrimidin-4-yl)sulfanyl]acetate
Catalog ID
STL327781
SMILES CCCCCCCCOC(=O)CSc1c(C#N)cnc2=CCCn12
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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 C18H25N3O2S MW 347.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O2S/c1-2-3-4-5-6-7-11-23-17(22)14-24-18-15(12-19)13-20-16-9-8-10-21(16)18/h9,13H,2-8,10-11,14H2,1H3InChIKey
JBFBWJXEIMFQCF-UHFFFAOYSA-NSynonyms
374102-09-7374102097
CCCCCCCCOC(=O)CSC1=C(C=NC2=CCCN21)C#N
InChI=1SC18H25N3O2Sc1234567112317(22)14241815(1219)132016981021(16)18h913H28101114H21H3
MFCD01952385
OCTYL((3CYANO67DIHYDROPYRROLO(12A)PYRIMIDIN4YL)SULFANYL)ACETATE
octyl2((3cyano67dihydropyrrolo(12a)pyrimidin4yl)sulfanyl)acetate
octyl2((3cyano67dihydropyrrolo(12a)pyrimidin4yl)thio)acetate
ZINC000100721191
ZINC100721191
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