Vitas-M small molecule compound
2-[(2,13-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
Catalog ID
STL303871
SMILES CC1CCN(CC1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)C(C)CCC3
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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 C22H27N7OS2 MW 469.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7OS2/c1-12-7-9-27(10-8-12)16(30)11-31-22-25-24-21-28(22)20-18(19-23-14(3)26-29(19)21)17-13(2)5-4-6-15(17)32-20/h12-13H,4-11H2,1-3H3InChIKey
CCPJKFJWOBAZRW-UHFFFAOYSA-NSynonyms
861115-61-92((213dimethyl10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)1(4methylpiperidin1yl)ethanone
2((213dimethyl10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)1(4methylpiperidin1yl)ethanone
861115619
CC1CCN(CC1)C(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5C)C6=NC(=NN63)C
InChI=1SC22H27N7OS2c1127927(10812)16(30)11312225242128(22)2018(192314(3)2629(19)21)1713(2)54615(17)3220h1213H411H213H3
MFCD05682762
ZINC000009307437
ZINC000013803805
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