Vitas-M small molecule compound

1-(4-methylpiperidin-1-yl)-2-[(11-methyl-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]ethanone

Catalog ID
STL303869
SMILES CC1CCN(CC1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCC(C3)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 C21H25N7OS2 MW 455.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7OS2/c1-12-5-7-26(8-6-12)16(29)10-30-21-25-24-20-27(21)19-17(18-22-11-23-28(18)20)14-4-3-13(2)9-15(14)31-19/h11-13H,3-10H2,1-2H3
InChIKey
NQMVEBAIDLYTIV-UHFFFAOYSA-N
Synonyms
861138-59-2
1(4methylpiperidin1yl)2((11methyl10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)ethanone
2((11methyl10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)1(4methylpiperidin1yl)ethanone
861138592
CC1CCN(CC1)C(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CC(CC5)C)C6=NC=NN63
InChI=1SC21H25N7OS2c1125726(8612)16(29)10302125242027(21)1917(1822112328(18)20)144313(2)915(14)3119h1113H310H212H3
MFCD05683675
ZINC000009307901
ZINC000009307902

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Available files

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