Vitas-M small molecule compound
3-[(2-methylprop-2-en-1-yl)sulfanyl]-11-(propan-2-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Catalog ID
STK540378
SMILES CC(=C)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(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 C21H23N5S2 MW 409.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5S2/c1-11(2)9-27-21-25-24-19-18-17(22-10-26(19)21)15-13-7-5-6-8-14(13)16(12(3)4)23-20(15)28-18/h10,12H,1,5-9H2,2-4H3InChIKey
PBKMGRNXMYCUOM-UHFFFAOYSA-NSynonyms
384801-89-211isopropyl3((2methylallyl)thio)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
3((2methylprop2en1yl)sulfanyl)11(propan2yl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinoline
384801892
CC(C)C1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=C)C)SC3=N1
InChI=1SC21H23N5S2c111(2)927212524191817(221026(19)21)1513756814(13)16(12(3)4)2320(15)2818h1012H159H224H3
MFCD03284291
ZINC000001242211
ZINC01242211
ZINC1242211
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