Vitas-M small molecule compound
1-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-4-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STL135114
SMILES CC(Cn1c2nnc(n2c2c(c1=O)scc2)CCCC(=O)N1CCC(CC1)C)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/c1-14(2)13-25-20(28)19-16(9-12-29-19)26-17(22-23-21(25)26)5-4-6-18(27)24-10-7-15(3)8-11-24/h9,12,14-15H,4-8,10-11,13H2,1-3H3InChIKey
ZHKMRGHVJLKCHE-UHFFFAOYSA-NSynonyms
1(4(4methylpiperidin1yl)4oxobutyl)4(2methylpropyl)thieno(23e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCN(CC1)C(=O)CCCC2=NN=C3N2C4=C(C(=O)N3CC(C)C)SC=C4
InChI=1SC21H29N5O2Sc114(2)132520(28)1916(9122919)2617(222321(25)26)54618(27)2410715(3)81124h9121415H48101113H213H3
MFCD14902353
ZINC000006868492
ZINC6868492
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