Vitas-M small molecule compound
2-[(12-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]-1-phenylethanone
Catalog ID
STK720698
SMILES CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)nnc2n2c1ncn2
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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 C21H18N6OS2 MW 434.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6OS2/c1-12-7-8-16-14(9-12)17-18-22-11-23-27(18)20-24-25-21(26(20)19(17)30-16)29-10-15(28)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3InChIKey
OMADAUZCPFMPOT-UHFFFAOYSA-NSynonyms
862244-33-52((12methyl10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a15c)pyrimidin7yl)sulfanyl)1phenylethanone
2((12methyl10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a15c)pyrimidin7yl)thio)1phenylethanone
862244335
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=CC=C5)N6C3=NC=N6
InChI=1SC21H18N6OS2c112781614(912)171822112327(18)20242521(26(20)19(17)3016)291015(28)135324613h261112H710H21H3
MFCD05698014
ZINC000009292204
ZINC000009292206
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